5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one

C16H15FN2O2 — CID 114829036

IUPAC5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Cc1ccc(F)cc1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C16H15FN2O2/c1-10(8-11-2-4-12(17)5-3-11)18-13-6-7-15-14(9-13)19-16(20)21-15/h2-7,9-10,18H,8H2,1H3,(H,19,20)
InChIKeyDZQMKZHDCUMYFH-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.30
Rot. Bonds4

About 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one

5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 114829036) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
PubChem CID114829036
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Cc1ccc(F)cc1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C16H15FN2O2/c1-10(8-11-2-4-12(17)5-3-11)18-13-6-7-15-14(9-13)19-16(20)21-15/h2-7,9-10,18H,8H2,1H3,(H,19,20)
InChIKeyDZQMKZHDCUMYFH-UHFFFAOYSA-N
XLogP3.30
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 83118011
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
ethane;5-(2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 143679953
2-fluoro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 115485422
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one (CID 114829036) is 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one is CC(Cc1ccc(F)cc1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is DZQMKZHDCUMYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10(8-11-2-4-12(17)5-3-11)18-13-6-7-15-14(9-13)19-16(20)21-15/h2-7,9-10,18H,8H2,1H3,(H,19,20).
What are the key properties of 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one?
5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 286.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 114829036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).