2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole

C13H21NO — CID 59476459

IUPAC2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole
SMILESCC1CCC(c2nc(C(C)C)co2)CC1
InChIInChI=1S/C13H21NO/c1-9(2)12-8-15-13(14-12)11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3
InChIKeyQNFRZIIMDVETNR-UHFFFAOYSA-N
MW207.32 g/mol
LogP4.09
Rot. Bonds2

About 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole

2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole (PubChem CID 59476459) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole
PubChem CID59476459
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole
SMILESCC1CCC(c2nc(C(C)C)co2)CC1
InChIInChI=1S/C13H21NO/c1-9(2)12-8-15-13(14-12)11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3
InChIKeyQNFRZIIMDVETNR-UHFFFAOYSA-N
XLogP4.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole (CID 59476459) is 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole is CC1CCC(c2nc(C(C)C)co2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole?
The InChIKey is QNFRZIIMDVETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)12-8-15-13(14-12)11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole?
2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole has a molecular weight of 207.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 59476459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).