4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine

C15H27N3O2 — CID 116781385

IUPAC4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(C2(OC)CCCC(C)C2)no1
InChIInChI=1S/C15H27N3O2/c1-11-6-5-9-15(10-11,19-4)14-17-13(20-18-14)8-7-12(2)16-3/h11-12,16H,5-10H2,1-4H3
InChIKeyLXBLCZMAFNWRFC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds6

About 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine

4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 116781385) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID116781385
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1nc(C2(OC)CCCC(C)C2)no1
InChIInChI=1S/C15H27N3O2/c1-11-6-5-9-15(10-11,19-4)14-17-13(20-18-14)8-7-12(2)16-3/h11-12,16H,5-10H2,1-4H3
InChIKeyLXBLCZMAFNWRFC-UHFFFAOYSA-N
XLogP2.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742839
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819
5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742701
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 104612022
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781367
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116742919
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 116781385) is 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CNC(C)CCc1nc(C2(OC)CCCC(C)C2)no1.
What is the InChIKey of 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is LXBLCZMAFNWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-6-5-9-15(10-11,19-4)14-17-13(20-18-14)8-7-12(2)16-3/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.66, 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-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 116781385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).