2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one

C11H15NO2 — CID 83484270

IUPAC2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1Cc1cocn1
InChIInChI=1S/C11H15NO2/c13-11-5-3-1-2-4-9(11)6-10-7-14-8-12-10/h7-9H,1-6H2
InChIKeyMBZYHUAKWHMRBV-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.37
Rot. Bonds2

About 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one

2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one (PubChem CID 83484270) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
PubChem CID83484270
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
SMILESO=C1CCCCCC1Cc1cocn1
InChIInChI=1S/C11H15NO2/c13-11-5-3-1-2-4-9(11)6-10-7-14-8-12-10/h7-9H,1-6H2
InChIKeyMBZYHUAKWHMRBV-UHFFFAOYSA-N
XLogP2.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one?
The IUPAC name of 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one (CID 83484270) is 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one.
What is the SMILES notation for 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one?
The canonical SMILES for 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one is O=C1CCCCCC1Cc1cocn1.
What is the InChIKey of 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one?
The InChIKey is MBZYHUAKWHMRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11-5-3-1-2-4-9(11)6-10-7-14-8-12-10/h7-9H,1-6H2.
What are the key properties of 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one?
2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one is sourced from PubChem (CID 83484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).