2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one

C12H17NO2 — CID 573494

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one
SMILESCc1noc(C)c1CC1CCCCC1=O
InChIInChI=1S/C12H17NO2/c1-8-11(9(2)15-13-8)7-10-5-3-4-6-12(10)14/h10H,3-7H2,1-2H3
InChIKeyOJARMPVCHPMKQI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.59
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one (PubChem CID 573494) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one
PubChem CID573494
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one
SMILESCc1noc(C)c1CC1CCCCC1=O
InChIInChI=1S/C12H17NO2/c1-8-11(9(2)15-13-8)7-10-5-3-4-6-12(10)14/h10H,3-7H2,1-2H3
InChIKeyOJARMPVCHPMKQI-UHFFFAOYSA-N
XLogP2.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one (CID 573494) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one is Cc1noc(C)c1CC1CCCCC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one?
The InChIKey is OJARMPVCHPMKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-11(9(2)15-13-8)7-10-5-3-4-6-12(10)14/h10H,3-7H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 573494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).