1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C18H17N3O2 — CID 108812650

IUPAC1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-8-9-15(10-13(12)2)19-18(22)20-17-11-16(23-21-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeySYGQKCYGOQGPCR-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.60
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812650) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812650
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1C
InChIInChI=1S/C18H17N3O2/c1-12-8-9-15(10-13(12)2)19-18(22)20-17-11-16(23-21-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeySYGQKCYGOQGPCR-UHFFFAOYSA-N
XLogP4.60
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812503
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812650) is 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is Cc1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is SYGQKCYGOQGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-8-9-15(10-13(12)2)19-18(22)20-17-11-16(23-21-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 307.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).