phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone

C15H15NO2 — CID 134984735

IUPACphenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone
SMILESO=C(c1ccccc1)c1onc2c1CCCCC2
InChIInChI=1S/C15H15NO2/c17-14(11-7-3-1-4-8-11)15-12-9-5-2-6-10-13(12)16-18-15/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyQLGGBJCOZFLLFW-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.17
Rot. Bonds2

About phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone

phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone (PubChem CID 134984735) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone.

Molecular Properties

Compound Namephenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone
PubChem CID134984735
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namephenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone
SMILESO=C(c1ccccc1)c1onc2c1CCCCC2
InChIInChI=1S/C15H15NO2/c17-14(11-7-3-1-4-8-11)15-12-9-5-2-6-10-13(12)16-18-15/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyQLGGBJCOZFLLFW-UHFFFAOYSA-N
XLogP3.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone?
The IUPAC name of phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone (CID 134984735) is phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone.
What is the SMILES notation for phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone?
The canonical SMILES for phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone is O=C(c1ccccc1)c1onc2c1CCCCC2.
What is the InChIKey of phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone?
The InChIKey is QLGGBJCOZFLLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14(11-7-3-1-4-8-11)15-12-9-5-2-6-10-13(12)16-18-15/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone?
phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone is sourced from PubChem (CID 134984735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).