PF-04802367

CAT: 0607-BA8691-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8691-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1962178-27-3

Form

A solid

Molecular Formula

C16H16ClN5O3

Molecular Weight

361.78

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

PF-367

CAS Number	1962178-27-3
PubChem CID	60148521
IUPAC Name	5-(3-chloro-4-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide
Molecular Formula	C16H16ClN5O3
Molecular Weight	361.78
XLogP	2.3
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	444

SMILES

COC1=C(C=C(C=C1)C2=C(N=CO2)C(=O)NCCCN3C=NC=N3)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-24-13-4-3-11(7-12(13)17)15-14(20-10-25-15)16(23)19-5-2-6-22-9-18-8-21-22/h3-4,7-10H,2,5-6H2,1H3,(H,19,23)

InChIKey

RQFYFNAGNBUGFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1962178-27-3

CID: 60148521

Formula: C16H16ClN5O3

MW: 361.78

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.78
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	361.0941671
Monoisotopic Mass	361.0941671
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	444
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