4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one

C8H6FNO2 — CID 15675947

IUPAC4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)[nH]c2c1F
InChIInChI=1S/C8H6FNO2/c1-4-2-3-5-7(6(4)9)10-8(11)12-5/h2-3H,1H3,(H,10,11)
InChIKeyYFJFDSQYTPZXJK-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.57
Rot. Bonds

About 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one

4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 15675947) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
PubChem CID15675947
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)[nH]c2c1F
InChIInChI=1S/C8H6FNO2/c1-4-2-3-5-7(6(4)9)10-8(11)12-5/h2-3H,1H3,(H,10,11)
InChIKeyYFJFDSQYTPZXJK-UHFFFAOYSA-N
XLogP1.57
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[amino-(2,6-difluoro-3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 82797093
6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081
6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81477930
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
CID 82084268
7-bromo-6-methyl-1H-pyrano[2,3-e][1,3]benzoxazole-2,8-dione
CID 2754053
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
5-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 63109373
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
(4-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid
CID 67126861
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
6-amino-5-(3-fluoro-4-methylanilino)-3H-1,3-benzoxazol-2-one
CID 115425126

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one (CID 15675947) is 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)[nH]c2c1F.
What is the InChIKey of 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is YFJFDSQYTPZXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-4-2-3-5-7(6(4)9)10-8(11)12-5/h2-3H,1H3,(H,10,11).
What are the key properties of 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 167.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).