6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one

C15H12F2N2O2 — CID 43486093

IUPAC6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCNC(c1cc(F)cc(F)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H12F2N2O2/c1-18-14(9-4-10(16)7-11(17)5-9)8-2-3-12-13(6-8)21-15(20)19-12/h2-7,14,18H,1H3,(H,19,20)
InChIKeyIRRWYUBSBPETEV-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.71
Rot. Bonds3

About 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one

6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43486093) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43486093
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCNC(c1cc(F)cc(F)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H12F2N2O2/c1-18-14(9-4-10(16)7-11(17)5-9)8-2-3-12-13(6-8)21-15(20)19-12/h2-7,14,18H,1H3,(H,19,20)
InChIKeyIRRWYUBSBPETEV-UHFFFAOYSA-N
XLogP2.71
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486083
6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486043
6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486103
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-[(3-chloro-2-methylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107096405
6-[2-chloro-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 116952665
6-[1-(methylamino)-2-methylsulfanylethyl]-3H-1,3-benzoxazol-2-one
CID 116830424
6-[amino-(3-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140007
6-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116949062
3-(methylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanenitrile
CID 116955187
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one (CID 43486093) is 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one is CNC(c1cc(F)cc(F)c1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is IRRWYUBSBPETEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-18-14(9-4-10(16)7-11(17)5-9)8-2-3-12-13(6-8)21-15(20)19-12/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 290.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43486093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).