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

C14H25N3O2 — CID 116742504

IUPAC2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOC1(c2noc(C(C)(C)CN)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O2/c1-10-5-7-14(18-4,8-6-10)11-16-12(19-17-11)13(2,3)9-15/h10H,5-9,15H2,1-4H3
InChIKeyAYZGBCPTOFPRJE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds4

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

2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 116742504) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID116742504
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOC1(c2noc(C(C)(C)CN)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O2/c1-10-5-7-14(18-4,8-6-10)11-16-12(19-17-11)13(2,3)9-15/h10H,5-9,15H2,1-4H3
InChIKeyAYZGBCPTOFPRJE-UHFFFAOYSA-N
XLogP2.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine with MolForge

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Related Compounds

3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742557
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 116742460
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742037
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
1,1,1-trifluoro-3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116780394
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741779
5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 116742504) is 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is COC1(c2noc(C(C)(C)CN)n2)CCC(C)CC1.
What is the InChIKey of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is AYZGBCPTOFPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-5-7-14(18-4,8-6-10)11-16-12(19-17-11)13(2,3)9-15/h10H,5-9,15H2,1-4H3.
What are the key properties of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116742504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).