S6821

CAT: 0926-BS177682-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-BS177682-02Size:10 mg

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

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CAS Number

1119831-25-2

Smiles

CC1=C (C (=NO1) C) CN2C=C (C=N2) N3C (=O) CN (C3=O) CC4=CC (=CC=C4) O

Molecular Formula

C19H19N5O4

Molecular Weight

381.39 g/mol

Controlled

Chemical Information

3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione

CAS Number	1119831-25-2
PubChem CID	57422431
IUPAC Name	3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
Molecular Formula	C19H19N5O4
Molecular Weight	381.4
XLogP	1.2
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	605

SMILES

CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)O

InChI

InChI=1S/C19H19N5O4/c1-12-17(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-4-3-5-16(25)6-14/h3-7,9,25H,8,10-11H2,1-2H3

InChIKey

LLJBKECMPVCSDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1119831-25-2

CID: 57422431

Formula: C19H19N5O4

MW: 381.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.4
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	381.14370410
Monoisotopic Mass	381.14370410
Topological Polar Surface Area	105 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	605
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
HY-139899-01	S6821