(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one

C15H15NO2 — CID 154926197

IUPAC(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one
SMILESCCC(=O)/C=C/c1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H15NO2/c1-3-13(17)8-9-14-10-15(16-18-14)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/b9-8+
InChIKeyGYWUNCRONFCPSQ-CMDGGOBGSA-N
MW241.29 g/mol
LogP3.64
Rot. Bonds4

About (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one

(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one (PubChem CID 154926197) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one
PubChem CID154926197
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one
SMILESCCC(=O)/C=C/c1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H15NO2/c1-3-13(17)8-9-14-10-15(16-18-14)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/b9-8+
InChIKeyGYWUNCRONFCPSQ-CMDGGOBGSA-N
XLogP3.64
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one 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

(E)-1-(3-phenyl-1,2-oxazol-5-yl)pent-1-en-3-one
CID 154926167
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
(3E)-5-acetyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylidene]oxolan-2-one
CID 101105046
2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide
CID 9467401
5-(iodomethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 64787197
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate
CID 174638559
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
CID 82126942
(2E)-3-chloro-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylidene]cyclopentan-1-one
CID 177419232
[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 42895471
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one?
The IUPAC name of (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one (CID 154926197) is (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one.
What is the SMILES notation for (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one?
The canonical SMILES for (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one is CCC(=O)/C=C/c1cc(-c2ccc(C)cc2)no1.
What is the InChIKey of (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one?
The InChIKey is GYWUNCRONFCPSQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-13(17)8-9-14-10-15(16-18-14)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/b9-8+.
What are the key properties of (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one?
(E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one has a molecular weight of 241.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pent-1-en-3-one is sourced from PubChem (CID 154926197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).