(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide

C15H14N2O4 — CID 91962863

IUPAC(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide
SMILESCc1ccc(/C(O)=C/C(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H14N2O4/c1-9-3-5-11(6-4-9)12(18)8-13(19)15(20)16-14-7-10(2)21-17-14/h3-8,18H,1-2H3,(H,16,17,20)/b12-8-
InChIKeyYIOSKHFEVFRGGP-WQLSENKSSA-N
MW286.29 g/mol
LogP2.40
Rot. Bonds4

About (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide

(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide (PubChem CID 91962863) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide.

Molecular Properties

Compound Name(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide
PubChem CID91962863
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide
SMILESCc1ccc(/C(O)=C/C(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H14N2O4/c1-9-3-5-11(6-4-9)12(18)8-13(19)15(20)16-14-7-10(2)21-17-14/h3-8,18H,1-2H3,(H,16,17,20)/b12-8-
InChIKeyYIOSKHFEVFRGGP-WQLSENKSSA-N
XLogP2.40
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
4-hydroxy-1,4-bis(4-methylphenyl)but-3-ene-1,2-dione
CID 884327
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
N-(2-chloro-4-methylphenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 3437809
(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide
CID 5293450
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide?
The IUPAC name of (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide (CID 91962863) is (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide.
What is the SMILES notation for (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide?
The canonical SMILES for (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide is Cc1ccc(/C(O)=C/C(=O)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide?
The InChIKey is YIOSKHFEVFRGGP-WQLSENKSSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-3-5-11(6-4-9)12(18)8-13(19)15(20)16-14-7-10(2)21-17-14/h3-8,18H,1-2H3,(H,16,17,20)/b12-8-.
What are the key properties of (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide?
(Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide has a molecular weight of 286.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenyl)-2-oxobut-3-enamide is sourced from PubChem (CID 91962863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).