N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C14H19N5O — CID 115531494

IUPACN-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2nc(-c3ccnc(C)n3)no2)CC1
InChIInChI=1S/C14H19N5O/c1-9-16-8-7-12(17-9)13-18-14(20-19-13)10-3-5-11(15-2)6-4-10/h7-8,10-11,15H,3-6H2,1-2H3
InChIKeyHPKCRVUDXRBONC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 115531494) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID115531494
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2nc(-c3ccnc(C)n3)no2)CC1
InChIInChI=1S/C14H19N5O/c1-9-16-8-7-12(17-9)13-18-14(20-19-13)10-3-5-11(15-2)6-4-10/h7-8,10-11,15H,3-6H2,1-2H3
InChIKeyHPKCRVUDXRBONC-UHFFFAOYSA-N
XLogP2.08
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552121
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 103084081
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine
CID 166269875
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
2,2-dimethyl-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526488
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 82787758
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63350482
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 115531494) is N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CNC1CCC(c2nc(-c3ccnc(C)n3)no2)CC1.
What is the InChIKey of N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is HPKCRVUDXRBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-16-8-7-12(17-9)13-18-14(20-19-13)10-3-5-11(15-2)6-4-10/h7-8,10-11,15H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 115531494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).