1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea

C13H15N3O2 — CID 131227713

IUPAC1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1nocc1CNC(=O)NCc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10-12(9-18-16-10)8-15-13(17)14-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,17)
InChIKeyINFAGMKQQYHBGA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds4

About 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea

1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 131227713) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID131227713
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1nocc1CNC(=O)NCc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10-12(9-18-16-10)8-15-13(17)14-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,17)
InChIKeyINFAGMKQQYHBGA-UHFFFAOYSA-N
XLogP1.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]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-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
N-[(3-methyl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 130987515
2-fluoro-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]propanamide
CID 131000688
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
1-benzyl-3-methylurea;ethane
CID 90763782
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
CID 110775172
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea (CID 131227713) is 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea is Cc1nocc1CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is INFAGMKQQYHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-12(9-18-16-10)8-15-13(17)14-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea?
1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 245.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 131227713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).