6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one

C15H13FN2O2 — CID 15675940

IUPAC6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1c(F)c(NCc2ccccc2)cc2oc(=O)[nH]c12
InChIInChI=1S/C15H13FN2O2/c1-9-13(16)11(7-12-14(9)18-15(19)20-12)17-8-10-5-3-2-4-6-10/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyLPKGASCUHSOCRU-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.18
Rot. Bonds3

About 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one

6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 15675940) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one
PubChem CID15675940
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1c(F)c(NCc2ccccc2)cc2oc(=O)[nH]c12
InChIInChI=1S/C15H13FN2O2/c1-9-13(16)11(7-12-14(9)18-15(19)20-12)17-8-10-5-3-2-4-6-10/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyLPKGASCUHSOCRU-UHFFFAOYSA-N
XLogP3.18
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one (CID 15675940) is 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one is Cc1c(F)c(NCc2ccccc2)cc2oc(=O)[nH]c12.
What is the InChIKey of 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is LPKGASCUHSOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-9-13(16)11(7-12-14(9)18-15(19)20-12)17-8-10-5-3-2-4-6-10/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one?
6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 272.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-5-fluoro-4-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).