(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide

C16H13N3O3 — CID 54717756

IUPAC(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(-c2ncco2)cc1)=C(/O)C1CC1
InChIInChI=1S/C16H13N3O3/c17-9-13(14(20)10-1-2-10)15(21)19-12-5-3-11(4-6-12)16-18-7-8-22-16/h3-8,10,20H,1-2H2,(H,19,21)/b14-13-
InChIKeyGHOLEOLKSUAVGK-YPKPFQOOSA-N
MW295.30 g/mol
LogP3.03
Rot. Bonds4

About (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide

(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide (PubChem CID 54717756) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide
PubChem CID54717756
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(-c2ncco2)cc1)=C(/O)C1CC1
InChIInChI=1S/C16H13N3O3/c17-9-13(14(20)10-1-2-10)15(21)19-12-5-3-11(4-6-12)16-18-7-8-22-16/h3-8,10,20H,1-2H2,(H,19,21)/b14-13-
InChIKeyGHOLEOLKSUAVGK-YPKPFQOOSA-N
XLogP3.03
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-Phenyl-1,3-oxazol-2-yl)aniline
CID 854968
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
(R)-2-amino-N-(3-cyano-4-(oxazol-5-yl)phenyl)-4-methylpentanamide
CID 117813496
N1-[4-(1,3-oxazol-5-yl)phenyl]-2,2-dimethylpropanamide
CID 2806322
4-(1,3-Oxazol-2-yl)aniline
CID 12371739
4-{[4-(2-Phenyl-1,3-oxazol-5-yl)phenyl]amino}-3-penten-2-one
CID 5310855
(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 104902976
N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 2806321
N-tert-Butyl-N''-(4-oxazol-5-yl-phenyl)-oxalamide
CID 22558406
2-[4-(4,4-Diethylpiperazin-4-ium-1-yl)phenyl]-1,3-oxazole iodide
CID 168087599
N,N-Dimethyl-4-(5-phenyl-1,3-oxazol-2-yl)aniline
CID 15134379

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide (CID 54717756) is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide is N#C/C(C(=O)Nc1ccc(-c2ncco2)cc1)=C(/O)C1CC1.
What is the InChIKey of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is GHOLEOLKSUAVGK-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-9-13(14(20)10-1-2-10)15(21)19-12-5-3-11(4-6-12)16-18-7-8-22-16/h3-8,10,20H,1-2H2,(H,19,21)/b14-13-.
What are the key properties of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide?
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 295.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 54717756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).