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

C14H11FN2O2 — CID 43741452

IUPAC5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3ccc(F)cc3)ccc2o1
InChIInChI=1S/C14H11FN2O2/c15-10-3-1-9(2-4-10)8-16-11-5-6-13-12(7-11)17-14(18)19-13/h1-7,16H,8H2,(H,17,18)
InChIKeyKIVSNKFWEPBWMG-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.87
Rot. Bonds3

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

5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 43741452) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID43741452
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3ccc(F)cc3)ccc2o1
InChIInChI=1S/C14H11FN2O2/c15-10-3-1-9(2-4-10)8-16-11-5-6-13-12(7-11)17-14(18)19-13/h1-7,16H,8H2,(H,17,18)
InChIKeyKIVSNKFWEPBWMG-UHFFFAOYSA-N
XLogP2.87
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 63204507
5-[(3-bromophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741453
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
CID 114829036
5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793336
5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 43804424
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
5-[(5-iodofuran-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43790112
5-[(1-methylpyrrol-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 62133508
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one (CID 43741452) is 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCc3ccc(F)cc3)ccc2o1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is KIVSNKFWEPBWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-10-3-1-9(2-4-10)8-16-11-5-6-13-12(7-11)17-14(18)19-13/h1-7,16H,8H2,(H,17,18).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43741452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).