4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole

C12H19NO — CID 141167685

IUPAC4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole
SMILESCc1nc(C2(C)CCCCC2)oc1C
InChIInChI=1S/C12H19NO/c1-9-10(2)14-11(13-9)12(3)7-5-4-6-8-12/h4-8H2,1-3H3
InChIKeyBDLVGEGBUVTCGT-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.51
Rot. Bonds1

About 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole

4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole (PubChem CID 141167685) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole
PubChem CID141167685
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole
SMILESCc1nc(C2(C)CCCCC2)oc1C
InChIInChI=1S/C12H19NO/c1-9-10(2)14-11(13-9)12(3)7-5-4-6-8-12/h4-8H2,1-3H3
InChIKeyBDLVGEGBUVTCGT-UHFFFAOYSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole
CID 130856161
1-(4,5-dimethyl-1,3-oxazol-2-yl)cyclopent-3-en-1-amine
CID 82410019
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
4-methyl-2-(4-methylthian-4-yl)-1,3-oxazole-5-carbaldehyde
CID 115035108
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile
CID 59295428
2-(1-methylcyclohexyl)-1,3-benzoxazole-4-carboxylic acid
CID 106829419
2-(1-methylcyclohexyl)-1,3-benzoxazole-6-carboxylic acid
CID 106829420
N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106828749
2-[4-methyl-2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115043031
2,4-dimethyl-5-(1-methylcyclopentyl)-1,3-thiazole
CID 146290468
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole (CID 141167685) is 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole is Cc1nc(C2(C)CCCCC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole?
The InChIKey is BDLVGEGBUVTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-10(2)14-11(13-9)12(3)7-5-4-6-8-12/h4-8H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole?
4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole is sourced from PubChem (CID 141167685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).