1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea

C24H21N3O2 — CID 108812654

IUPAC1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21N3O2/c28-24(25-23-16-22(29-26-23)21-14-8-3-9-15-21)27(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H,25,26,28)
InChIKeyBVFLESRDGXARMK-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.58
Rot. Bonds6

About 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea

1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812654) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812654
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21N3O2/c28-24(25-23-16-22(29-26-23)21-14-8-3-9-15-21)27(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H,25,26,28)
InChIKeyBVFLESRDGXARMK-UHFFFAOYSA-N
XLogP5.58
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
CID 108812739
1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75496323
1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813385
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812654) is 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(Nc1cc(-c2ccccc2)on1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is BVFLESRDGXARMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-24(25-23-16-22(29-26-23)21-14-8-3-9-15-21)27(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H,25,26,28).
What are the key properties of 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 383.45 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).