2- (Oxazol-5-yl) phenol

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CAS Number

391927-03-0

MDL Number

MFCD24729988

Smiles

C1ccc (c (c1) c1ocnc1) O

Chemical Information

2-(Oxazol-5-yl)phenol

CAS Number	391927-03-0
PubChem CID	22723465
IUPAC Name	2-(1,3-oxazol-5-yl)phenol
Molecular Formula	C9H7NO2
Molecular Weight	161.16
XLogP	1.6
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

C1=CC=C(C(=C1)C2=CN=CO2)O

InChI

InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-10-6-12-9/h1-6,11H

InChIKey

QKNIWSVPXBPDDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 391927-03-0

CID: 22723465

Formula: C9H7NO2

MW: 161.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.16
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	161.047678466
Monoisotopic Mass	161.047678466
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR79191-01	2- (Oxazol-4-yl) phenol
OR89717-01	2- (Benzo[d]oxazol-2-yl) phenol
OR1021055	2- (1,2-Oxazol-3-yl) phenol
OR1098799-01	3- (1,3-Oxazol-5-yl) phenol
OR951536-01	4- (1,3-Oxazol-5-yl) phenol
PC1015849	3,5-Difluoro-4- (oxazol-5-yl) phenol
OR78738-01	4- (Oxazol-4-yl) phenol
OR1088232-01	4-Bromo-3- (1,3-oxazol-5-yl) phenol
OR33060-01	4-[ (3,5-Dimethyl-1,2-oxazol-4-yl) methyl]phenol
OR1052921-01	2- (Oxazol-5-yl) acetic acid

Catalog	Name
AKB62875-01	4- (Dimethyl-1,2-oxazol-4-yl) phenol
ZFC65323-01	2-Methyl-4- (4-methyl-1,2-oxazol-5-yl) phenol
BCA44977	2- (1H-Tetrazol-5-yl) phenol
CWB51982-01	3- (5-Aminopyrimidin-2-yl) phenol
MKB59158-01	3- (5-Aminoisoxazol-3-yl) phenol
sc-275626	3- (1H-Tetrazol-5-yl) phenol
429284-01	4- (5-Formylthiophen-2-yl) phenol
sc-276634	4- (1H-Tetrazol-5-yl) phenol
MMA31033-01	5-Methoxy-2- (1H-pyrazol-5-yl) phenol
PYB37781-01	2-Methyl-5- (pyridin-3-yl) phenol