1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

C15H20N4O2 — CID 105064371

IUPAC1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCOc1cnccc1-c1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C15H20N4O2/c1-10-3-6-15(16,7-4-10)14-18-13(21-19-14)11-5-8-17-9-12(11)20-2/h5,8-10H,3-4,6-7,16H2,1-2H3
InChIKeyVBVPODGCWJBWTO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds3

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

1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 105064371) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID105064371
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCOc1cnccc1-c1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C15H20N4O2/c1-10-3-6-15(16,7-4-10)14-18-13(21-19-14)11-5-8-17-9-12(11)20-2/h5,8-10H,3-4,6-7,16H2,1-2H3
InChIKeyVBVPODGCWJBWTO-UHFFFAOYSA-N
XLogP2.50
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588
1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351511
1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 106863473
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 107099601
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 105064395
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 105064392

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 105064371) is 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is COc1cnccc1-c1nc(C2(N)CCC(C)CC2)no1.
What is the InChIKey of 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is VBVPODGCWJBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-3-6-15(16,7-4-10)14-18-13(21-19-14)11-5-8-17-9-12(11)20-2/h5,8-10H,3-4,6-7,16H2,1-2H3.
What are the key properties of 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 288.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 105064371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).