5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C17H16N2O2 — CID 143438205

IUPAC5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESC=C/C=C(\C=C)c1oc(-c2ccc(C)cc2)nc1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-4-6-12(5-2)15-14(16(18)20)19-17(21-15)13-9-7-11(3)8-10-13/h4-10H,1-2H2,3H3,(H2,18,20)/b12-6+
InChIKeyIYAAUJGQJLVLFR-WUXMJOGZSA-N
MW280.33 g/mol
LogP3.50
Rot. Bonds5

About 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 143438205) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID143438205
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESC=C/C=C(\C=C)c1oc(-c2ccc(C)cc2)nc1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-4-6-12(5-2)15-14(16(18)20)19-17(21-15)13-9-7-11(3)8-10-13/h4-10H,1-2H2,3H3,(H2,18,20)/b12-6+
InChIKeyIYAAUJGQJLVLFR-WUXMJOGZSA-N
XLogP3.50
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide 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

2-[(3E)-hexa-1,3,5-trien-3-yl]-4-(4-methylphenyl)-1,3-oxazole
CID 143438249
N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 25103542
2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
CID 66620652
4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 66598652
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
4-methyl-N-[(4-methylphenyl)methylideneamino]-2-phenyl-1,3-oxazole-5-carboxamide
CID 70622767
N-[4-(6,9-dimethylphenanthro[9,10-d][1,3]oxazol-2-yl)phenyl]prop-2-enamide
CID 59510264
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
prop-2-enoic acid;1,4-xylene
CID 67822281
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide
CID 51065080

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 143438205) is 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is C=C/C=C(\C=C)c1oc(-c2ccc(C)cc2)nc1C(N)=O.
What is the InChIKey of 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IYAAUJGQJLVLFR-WUXMJOGZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-4-6-12(5-2)15-14(16(18)20)19-17(21-15)13-9-7-11(3)8-10-13/h4-10H,1-2H2,3H3,(H2,18,20)/b12-6+.
What are the key properties of 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143438205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).