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

C23H19N3O3 — CID 2813151

IUPAC1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea
SMILESCc1onc(-c2ccccc2)c1NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H19N3O3/c1-16-21(22(26-29-16)17-10-4-2-5-11-17)25-23(27)24-19-14-8-9-15-20(19)28-18-12-6-3-7-13-18/h2-15H,1H3,(H2,24,25,27)
InChIKeyRXFCCSHOKZOXFL-UHFFFAOYSA-N
MW385.42 g/mol
LogP6.09
Rot. Bonds5

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

1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea (PubChem CID 2813151) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea
PubChem CID2813151
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea
SMILESCc1onc(-c2ccccc2)c1NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H19N3O3/c1-16-21(22(26-29-16)17-10-4-2-5-11-17)25-23(27)24-19-14-8-9-15-20(19)28-18-12-6-3-7-13-18/h2-15H,1H3,(H2,24,25,27)
InChIKeyRXFCCSHOKZOXFL-UHFFFAOYSA-N
XLogP6.09
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2812477
5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 17435298
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
3-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110863663
1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
CID 2814460
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
(2E)-2-hydroxyimino-N-(2-phenoxyphenyl)propanamide
CID 176944152
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea (CID 2813151) is 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea is Cc1onc(-c2ccccc2)c1NC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea?
The InChIKey is RXFCCSHOKZOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-21(22(26-29-16)17-10-4-2-5-11-17)25-23(27)24-19-14-8-9-15-20(19)28-18-12-6-3-7-13-18/h2-15H,1H3,(H2,24,25,27).
What are the key properties of 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea?
1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea has a molecular weight of 385.42 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 2813151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).