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

C20H21N3O2 — CID 84593941

IUPAC1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
SMILESCc1ocnc1CNC(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-19(23-14-25-15)13-22-20(24)21-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3,(H2,21,22,24)
InChIKeyHKHHJKJUSQVHCJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.61
Rot. Bonds6

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

1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 84593941) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
PubChem CID84593941
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
SMILESCc1ocnc1CNC(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-19(23-14-25-15)13-22-20(24)21-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3,(H2,21,22,24)
InChIKeyHKHHJKJUSQVHCJ-UHFFFAOYSA-N
XLogP3.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-diphenylethyl)-3-[(5-methyl-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-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea
CID 75440545
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 84599979
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97158340
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea
CID 97334233
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,3-diphenylpropanamide
CID 110671190
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea (CID 84593941) is 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea is Cc1ocnc1CNC(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is HKHHJKJUSQVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-19(23-14-25-15)13-22-20(24)21-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 84593941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).