4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one

C17H28N2O2 — CID 65402610

IUPAC4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCC(=O)C(c1nc(C2CCC(C(C)C)CC2)no1)C(C)C
InChIInChI=1S/C17H28N2O2/c1-10(2)13-6-8-14(9-7-13)16-18-17(21-19-16)15(11(3)4)12(5)20/h10-11,13-15H,6-9H2,1-5H3
InChIKeyPGRKEDHPBOTZRI-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.33
Rot. Bonds5

About 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one

4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (PubChem CID 65402610) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
PubChem CID65402610
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCC(=O)C(c1nc(C2CCC(C(C)C)CC2)no1)C(C)C
InChIInChI=1S/C17H28N2O2/c1-10(2)13-6-8-14(9-7-13)16-18-17(21-19-16)15(11(3)4)12(5)20/h10-11,13-15H,6-9H2,1-5H3
InChIKeyPGRKEDHPBOTZRI-UHFFFAOYSA-N
XLogP4.33
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one with MolForge

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Related Compounds

4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 65390542
ethyl 3-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481673
3-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 112743797
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116732654
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346626
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The IUPAC name of 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (CID 65402610) is 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.
What is the SMILES notation for 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The canonical SMILES for 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is CC(=O)C(c1nc(C2CCC(C(C)C)CC2)no1)C(C)C.
What is the InChIKey of 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The InChIKey is PGRKEDHPBOTZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-10(2)13-6-8-14(9-7-13)16-18-17(21-19-16)15(11(3)4)12(5)20/h10-11,13-15H,6-9H2,1-5H3.
What are the key properties of 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one has a molecular weight of 292.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is sourced from PubChem (CID 65402610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).