4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C15H19N3O — CID 60811920

IUPAC4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1ccccc1-c1noc(C2CCC(N)CC2)n1
InChIInChI=1S/C15H19N3O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-5,11-12H,6-9,16H2,1H3
InChIKeyCIJADECYMIPIPS-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds2

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

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 60811920) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID60811920
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1ccccc1-c1noc(C2CCC(N)CC2)n1
InChIInChI=1S/C15H19N3O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-5,11-12H,6-9,16H2,1H3
InChIKeyCIJADECYMIPIPS-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 62716116
3-(2-methylphenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 99130325
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031194
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
3-(2-methylphenyl)-5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110091590
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 27543125
cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323133
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 60811920) is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is Cc1ccccc1-c1noc(C2CCC(N)CC2)n1.
What is the InChIKey of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is CIJADECYMIPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-5,11-12H,6-9,16H2,1H3.
What are the key properties of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 60811920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).