methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate

C14H22N2O4 — CID 116744165

IUPACmethyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(C2(OC)CCC(C)(C)CC2)no1
InChIInChI=1S/C14H22N2O4/c1-13(2)5-7-14(19-4,8-6-13)12-15-10(20-16-12)9-11(17)18-3/h5-9H2,1-4H3
InChIKeyOOCMIJIRKNYQMQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.23
Rot. Bonds4

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

methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 116744165) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID116744165
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(C2(OC)CCC(C)(C)CC2)no1
InChIInChI=1S/C14H22N2O4/c1-13(2)5-7-14(19-4,8-6-13)12-15-10(20-16-12)9-11(17)18-3/h5-9H2,1-4H3
InChIKeyOOCMIJIRKNYQMQ-UHFFFAOYSA-N
XLogP2.23
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 116780470
1-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780464
4-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 116744159
methyl 2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475090
methyl 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 80690674
1,1,1-trifluoro-3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116780394
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481889
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104693275
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate (CID 116744165) is methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate is COC(=O)Cc1nc(C2(OC)CCC(C)(C)CC2)no1.
What is the InChIKey of methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is OOCMIJIRKNYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2)5-7-14(19-4,8-6-13)12-15-10(20-16-12)9-11(17)18-3/h5-9H2,1-4H3.
What are the key properties of methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate?
methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 282.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 116744165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).