1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea

C15H19N3O3 — CID 138004737

IUPAC1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
SMILESCC(O)(CNC(=O)NCc1noc2ccccc12)C1CC1
InChIInChI=1S/C15H19N3O3/c1-15(20,10-6-7-10)9-17-14(19)16-8-12-11-4-2-3-5-13(11)21-18-12/h2-5,10,20H,6-9H2,1H3,(H2,16,17,19)
InChIKeyOUGJUHBIXDAWQM-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.79
Rot. Bonds5

About 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea

1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea (PubChem CID 138004737) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
PubChem CID138004737
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
SMILESCC(O)(CNC(=O)NCc1noc2ccccc12)C1CC1
InChIInChI=1S/C15H19N3O3/c1-15(20,10-6-7-10)9-17-14(19)16-8-12-11-4-2-3-5-13(11)21-18-12/h2-5,10,20H,6-9H2,1H3,(H2,16,17,19)
InChIKeyOUGJUHBIXDAWQM-UHFFFAOYSA-N
XLogP1.79
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)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

2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 94909098
N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499424
1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 46274745
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
CID 20901318
1-(4-acetylphenyl)-3-(1,2-benzoxazol-3-ylmethyl)urea
CID 126458830
N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,4-dimethoxyphenyl)urea
CID 20901312
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea?
The IUPAC name of 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea (CID 138004737) is 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea.
What is the SMILES notation for 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea?
The canonical SMILES for 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea is CC(O)(CNC(=O)NCc1noc2ccccc12)C1CC1.
What is the InChIKey of 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea?
The InChIKey is OUGJUHBIXDAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(20,10-6-7-10)9-17-14(19)16-8-12-11-4-2-3-5-13(11)21-18-12/h2-5,10,20H,6-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea?
1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea has a molecular weight of 289.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea is sourced from PubChem (CID 138004737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).