4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid

C15H24N2O4 — CID 116744159

IUPAC4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCOC1(c2noc(CCCC(=O)O)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O4/c1-14(2)7-9-15(20-3,10-8-14)13-16-11(21-17-13)5-4-6-12(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyNMGVPESUJCFWGK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.92
Rot. Bonds6

About 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid

4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 116744159) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID116744159
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCOC1(c2noc(CCCC(=O)O)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O4/c1-14(2)7-9-15(20-3,10-8-14)13-16-11(21-17-13)5-4-6-12(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyNMGVPESUJCFWGK-UHFFFAOYSA-N
XLogP2.92
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid with MolForge

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Related Compounds

methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744165
1-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780464
1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 116780470
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
1,1,1-trifluoro-3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116780394

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CID 116744159) is 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid is COC1(c2noc(CCCC(=O)O)n2)CCC(C)(C)CC1.
What is the InChIKey of 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is NMGVPESUJCFWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2)7-9-15(20-3,10-8-14)13-16-11(21-17-13)5-4-6-12(18)19/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 116744159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).