1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C14H17N3O2 — CID 108812531

IUPAC1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCC(C)CNC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O2/c1-10(2)9-15-14(18)16-13-8-12(19-17-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyZYNQXFDCCHYWQK-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812531) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812531
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCC(C)CNC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O2/c1-10(2)9-15-14(18)16-13-8-12(19-17-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyZYNQXFDCCHYWQK-UHFFFAOYSA-N
XLogP3.12
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea 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

1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
CID 108812805
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812503
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
4-methylsulfanyl-2-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]butanoic acid
CID 108812567
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812531) is 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is CC(C)CNC(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is ZYNQXFDCCHYWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)9-15-14(18)16-13-8-12(19-17-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 259.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).