1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea

C13H15N3O2 — CID 47125787

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)8-14-13(17)15-12-7-10(2)18-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeySMPGJSSSUCDLHN-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.61
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 47125787) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
PubChem CID47125787
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)8-14-13(17)15-12-7-10(2)18-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeySMPGJSSSUCDLHN-UHFFFAOYSA-N
XLogP2.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)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

N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886891
N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 71899906

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea (CID 47125787) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is SMPGJSSSUCDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)8-14-13(17)15-12-7-10(2)18-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 245.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 47125787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).