1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea

C17H16FN3O3 — CID 50796699

IUPAC1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
SMILESCC(C)n1c(=O)oc2cc(NC(=O)Nc3cccc(F)c3)ccc21
InChIInChI=1S/C17H16FN3O3/c1-10(2)21-14-7-6-13(9-15(14)24-17(21)23)20-16(22)19-12-5-3-4-11(18)8-12/h3-10H,1-2H3,(H2,19,20,22)
InChIKeyIJHXVNZTCNLCIJ-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea

1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea (PubChem CID 50796699) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
PubChem CID50796699
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
SMILESCC(C)n1c(=O)oc2cc(NC(=O)Nc3cccc(F)c3)ccc21
InChIInChI=1S/C17H16FN3O3/c1-10(2)21-14-7-6-13(9-15(14)24-17(21)23)20-16(22)19-12-5-3-4-11(18)8-12/h3-10H,1-2H3,(H2,19,20,22)
InChIKeyIJHXVNZTCNLCIJ-UHFFFAOYSA-N
XLogP3.96
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
CID 89210533
1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797372
4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
CID 50820635
N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257
1-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-(5-propan-2-ylsulfonylpentyl)urea
CID 160739803
2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 50797086
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
1-(1-butanoylpiperidin-4-yl)-1-methyl-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 24812176
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
1-(3-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea (CID 50796699) is 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea is CC(C)n1c(=O)oc2cc(NC(=O)Nc3cccc(F)c3)ccc21.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
The InChIKey is IJHXVNZTCNLCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-10(2)21-14-7-6-13(9-15(14)24-17(21)23)20-16(22)19-12-5-3-4-11(18)8-12/h3-10H,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea has a molecular weight of 329.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50796699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).