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

C21H23N3O2 — CID 20955580

IUPAC1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccc(-c2nc(CNC(=O)Nc3cc(C)cc(C)c3)c(C)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-13-5-7-17(8-6-13)20-24-19(16(4)26-20)12-22-21(25)23-18-10-14(2)9-15(3)11-18/h5-11H,12H2,1-4H3,(H2,22,23,25)
InChIKeyDKFKVFHETJBWRE-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.90
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (PubChem CID 20955580) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
PubChem CID20955580
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccc(-c2nc(CNC(=O)Nc3cc(C)cc(C)c3)c(C)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-13-5-7-17(8-6-13)20-24-19(16(4)26-20)12-22-21(25)23-18-10-14(2)9-15(3)11-18/h5-11H,12H2,1-4H3,(H2,22,23,25)
InChIKeyDKFKVFHETJBWRE-UHFFFAOYSA-N
XLogP4.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-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-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955528
1-(5-chloro-2-methylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955713
1-(3,4-dimethylphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955588
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
N-(3,5-dimethylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277752
1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 46344167
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
CID 169336984
4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide
CID 126614847

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (CID 20955580) is 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is Cc1ccc(-c2nc(CNC(=O)Nc3cc(C)cc(C)c3)c(C)o2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The InChIKey is DKFKVFHETJBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-5-7-17(8-6-13)20-24-19(16(4)26-20)12-22-21(25)23-18-10-14(2)9-15(3)11-18/h5-11H,12H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea has a molecular weight of 349.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is sourced from PubChem (CID 20955580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).