(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C16H18N2O2 — CID 92955062

IUPAC(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C\c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C16H18N2O2/c1-11(2)14-7-4-13(5-8-14)6-9-16(19)17-15-10-12(3)20-18-15/h4-11H,1-3H3,(H,17,18,19)/b9-6-
InChIKeyASEPIEBEFGODCK-TWGQIWQCSA-N
MW270.33 g/mol
LogP3.76
Rot. Bonds4

About (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 92955062) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID92955062
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C\c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C16H18N2O2/c1-11(2)14-7-4-13(5-8-14)6-9-16(19)17-15-10-12(3)20-18-15/h4-11H,1-3H3,(H,17,18,19)/b9-6-
InChIKeyASEPIEBEFGODCK-TWGQIWQCSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 821621
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 18863191
N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4108258
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777167
N,N-dimethyl-4-[(E)-3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide
CID 110427027
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923109

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 92955062) is (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1cc(NC(=O)/C=C\c2ccc(C(C)C)cc2)no1.
What is the InChIKey of (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is ASEPIEBEFGODCK-TWGQIWQCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)14-7-4-13(5-8-14)6-9-16(19)17-15-10-12(3)20-18-15/h4-11H,1-3H3,(H,17,18,19)/b9-6-.
What are the key properties of (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 92955062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).