(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

C15H10F3N3O4 — CID 162357460

IUPAC(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCc1oncc1/C(O)=C(\C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O4/c1-8-12(7-20-25-8)13(22)11(6-19)14(23)21-9-2-4-10(5-3-9)24-15(16,17)18/h2-5,7,22H,1H3,(H,21,23)/b13-11-
InChIKeyCHOVJYQQAWVTAO-QBFSEMIESA-N
MW353.26 g/mol
LogP3.31
Rot. Bonds4

About (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 162357460) has the molecular formula C15H10F3N3O4 and a molecular weight of 353.26 g/mol. Its IUPAC name is (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID162357460
Molecular FormulaC15H10F3N3O4
Molecular Weight353.26 g/mol
Exact Mass353.06
IUPAC Name(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCc1oncc1/C(O)=C(\C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O4/c1-8-12(7-20-25-8)13(22)11(6-19)14(23)21-9-2-4-10(5-3-9)24-15(16,17)18/h2-5,7,22H,1H3,(H,21,23)/b13-11-
InChIKeyCHOVJYQQAWVTAO-QBFSEMIESA-N
XLogP3.31
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide with MolForge

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Related Compounds

(Z)-N-(4-acetamidophenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
CID 162357345
(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]prop-2-enamide
CID 162357362
(Z)-2-cyano-3-hydroxy-N-[3-methoxy-4-(trifluoromethyl)phenyl]-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
CID 162357428
(Z)-2-cyano-3-hydroxy-N-(5-methoxypyrimidin-2-yl)-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
CID 162357323
2-[[(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enoyl]amino]-N-phenylpyrimidine-5-carboxamide
CID 162357484
(Z)-2-cyano-N-[4-[2-(dimethylamino)ethyl-methylsulfamoyl]phenyl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
CID 162357397
(Z)-N-(2-chloro-4-methylsulfonylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
CID 162357307
(Z)-2-cyano-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-hydroxybut-2-enamide
CID 150075770
(Z)-2-cyano-3-hydroxy-N-[3-methyl-4-(trifluoromethoxy)phenyl]but-2-enamide
CID 59879565
(Z)-2-cyano-3-hydroxy-N-(4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
CID 162357186
(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53274904
(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54684141

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 162357460) is (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is Cc1oncc1/C(O)=C(\C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is CHOVJYQQAWVTAO-QBFSEMIESA-N. The full InChI is InChI=1S/C15H10F3N3O4/c1-8-12(7-20-25-8)13(22)11(6-19)14(23)21-9-2-4-10(5-3-9)24-15(16,17)18/h2-5,7,22H,1H3,(H,21,23)/b13-11-.
What are the key properties of (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
(Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 353.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 162357460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).