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

C8H13N3O2 — CID 108813953

IUPAC1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea
SMILESCC(C)CNC(=O)Nc1ccno1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-9-8(12)11-7-3-4-10-13-7/h3-4,6H,5H2,1-2H3,(H2,9,11,12)
InChIKeyJJSBCALTCBYZGP-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.45
Rot. Bonds3

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

1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108813953) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108813953
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea
SMILESCC(C)CNC(=O)Nc1ccno1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-9-8(12)11-7-3-4-10-13-7/h3-4,6H,5H2,1-2H3,(H2,9,11,12)
InChIKeyJJSBCALTCBYZGP-UHFFFAOYSA-N
XLogP1.45
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-3-(1,2-oxazol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea (CID 108813953) is 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea is CC(C)CNC(=O)Nc1ccno1.
What is the InChIKey of 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is JJSBCALTCBYZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)5-9-8(12)11-7-3-4-10-13-7/h3-4,6H,5H2,1-2H3,(H2,9,11,12).
What are the key properties of 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea?
1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 183.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108813953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).