2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one

C13H14N2O2 — CID 7068225

IUPAC2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
SMILESCC(C)/N=C/C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)14-8-11-13(16)17-12(15-11)10-6-4-3-5-7-10/h3-9,11H,1-2H3/b14-8+
InChIKeyMNKCBSSXCWBAEI-RIYZIHGNSA-N
MW230.27 g/mol
LogP1.84
Rot. Bonds3

About 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one

2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one (PubChem CID 7068225) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
PubChem CID7068225
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
SMILESCC(C)/N=C/C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)14-8-11-13(16)17-12(15-11)10-6-4-3-5-7-10/h3-9,11H,1-2H3/b14-8+
InChIKeyMNKCBSSXCWBAEI-RIYZIHGNSA-N
XLogP1.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-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

4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325
2-phenyl-4-prop-2-enyl-4H-1,3-oxazol-5-one
CID 11127309
4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
CID 123819241
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 2756650
2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19078011
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one
CID 3555993
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 66998047
(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
CID 135070859
(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 98512239
4-(cyclohexanecarbonyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 90917262

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one (CID 7068225) is 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one is CC(C)/N=C/C1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one?
The InChIKey is MNKCBSSXCWBAEI-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)14-8-11-13(16)17-12(15-11)10-6-4-3-5-7-10/h3-9,11H,1-2H3/b14-8+.
What are the key properties of 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one?
2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 7068225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).