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

C18H17N3O2 — CID 108812645

IUPAC1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-13-8-10-15(11-9-13)19-18(22)20-17-12-16(23-21-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,20,21,22)
InChIKeyJOPBFLSNVGWCAA-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.55
Rot. Bonds4

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

1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812645) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812645
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-13-8-10-15(11-9-13)19-18(22)20-17-12-16(23-21-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,20,21,22)
InChIKeyJOPBFLSNVGWCAA-UHFFFAOYSA-N
XLogP4.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.55
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-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
CID 108812805
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-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812645) is 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is CCc1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is JOPBFLSNVGWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-13-8-10-15(11-9-13)19-18(22)20-17-12-16(23-21-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 307.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).