1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea

C15H19N3O2 — CID 94205162

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1[C@@H](C)NC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C15H19N3O2/c1-9-7-5-6-8-13(9)11(3)16-14(19)18-15-17-10(2)12(4)20-15/h5-8,11H,1-4H3,(H2,16,17,18,19)/t11-/m1/s1
InChIKeyJQOHLUUZJOWDPQ-LLVKDONJSA-N
MW273.34 g/mol
LogP3.48
Rot. Bonds3

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

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea (PubChem CID 94205162) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
PubChem CID94205162
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1[C@@H](C)NC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C15H19N3O2/c1-9-7-5-6-8-13(9)11(3)16-14(19)18-15-17-10(2)12(4)20-15/h5-8,11H,1-4H3,(H2,16,17,18,19)/t11-/m1/s1
InChIKeyJQOHLUUZJOWDPQ-LLVKDONJSA-N
XLogP3.48
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]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

CID 168284479
CID 168284479
CID 12295231
CID 12295231
CID 47435680
CID 47435680
CID 48739675
CID 48739675
CID 121010698
CID 121010698
CID 134975457
CID 134975457
CID 48789780
CID 48789780
CID 48792643
CID 48792643
CID 49467078
CID 49467078
CID 71847486
CID 71847486
CID 71920185
CID 71920185
CID 94382432
CID 94382432

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea (CID 94205162) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea is Cc1ccccc1[C@@H](C)NC(=O)Nc1nc(C)c(C)o1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
The InChIKey is JQOHLUUZJOWDPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-7-5-6-8-13(9)11(3)16-14(19)18-15-17-10(2)12(4)20-15/h5-8,11H,1-4H3,(H2,16,17,18,19)/t11-/m1/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea has a molecular weight of 273.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 94205162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).