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

C14H10F2N2O2 — CID 99793337

IUPAC5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3cc(F)cc(F)c3)ccc2o1
InChIInChI=1S/C14H10F2N2O2/c15-9-3-8(4-10(16)5-9)7-17-11-1-2-13-12(6-11)18-14(19)20-13/h1-6,17H,7H2,(H,18,19)
InChIKeyMLYISCZAYTXROD-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.01
Rot. Bonds3

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

5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 99793337) has the molecular formula C14H10F2N2O2 and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID99793337
Molecular FormulaC14H10F2N2O2
Molecular Weight276.24 g/mol
Exact Mass276.07
IUPAC Name5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3cc(F)cc(F)c3)ccc2o1
InChIInChI=1S/C14H10F2N2O2/c15-9-3-8(4-10(16)5-9)7-17-11-1-2-13-12(6-11)18-14(19)20-13/h1-6,17H,7H2,(H,18,19)
InChIKeyMLYISCZAYTXROD-UHFFFAOYSA-N
XLogP3.01
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
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-[(5-iodofuran-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43790112
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
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-[1-(4-fluorophenyl)propan-2-ylamino]-3H-1,3-benzoxazol-2-one
CID 114829036
5-[(1-methylpyrrol-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 62133508
5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 66160922

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one (CID 99793337) is 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCc3cc(F)cc(F)c3)ccc2o1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is MLYISCZAYTXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2/c15-9-3-8(4-10(16)5-9)7-17-11-1-2-13-12(6-11)18-14(19)20-13/h1-6,17H,7H2,(H,18,19).
What are the key properties of 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 276.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 99793337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).