6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one

C16H17NO3 — CID 43340126

IUPAC6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CC1CC2CCC1C2)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H17NO3/c18-14(7-12-6-9-1-2-10(12)5-9)11-3-4-13-15(8-11)20-16(19)17-13/h3-4,8-10,12H,1-2,5-7H2,(H,17,19)
InChIKeyVSKNKSCOWSUIDW-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.13
Rot. Bonds3

About 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one

6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43340126) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one
PubChem CID43340126
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CC1CC2CCC1C2)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H17NO3/c18-14(7-12-6-9-1-2-10(12)5-9)11-3-4-13-15(8-11)20-16(19)17-13/h3-4,8-10,12H,1-2,5-7H2,(H,17,19)
InChIKeyVSKNKSCOWSUIDW-UHFFFAOYSA-N
XLogP3.13
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-(2-pyrrolidin-2-ylacetyl)-3H-1,3-benzoxazol-2-one
CID 116917019
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3H-1,3-benzoxazol-2-one
CID 63432889
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 115812924
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379569
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 115784998
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291236
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 79558524
6-[2-(4,5-dihydro-1H-imidazol-2-yl)acetyl]-3H-1,3-benzoxazol-2-one
CID 116826203
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 42904819

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one (CID 43340126) is 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one is O=C(CC1CC2CCC1C2)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is VSKNKSCOWSUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-14(7-12-6-9-1-2-10(12)5-9)11-3-4-13-15(8-11)20-16(19)17-13/h3-4,8-10,12H,1-2,5-7H2,(H,17,19).
What are the key properties of 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one?
6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 271.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43340126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).