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

C17H23N3O — CID 83209392

IUPAC2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1(c2nc(CCc3ccccc3)no2)CCCCC1N
InChIInChI=1S/C17H23N3O/c1-17(12-6-5-9-14(17)18)16-19-15(20-21-16)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,18H2,1H3
InChIKeyBDNHYFANUSOQCQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds4

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

2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 83209392) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID83209392
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1(c2nc(CCc3ccccc3)no2)CCCCC1N
InChIInChI=1S/C17H23N3O/c1-17(12-6-5-9-14(17)18)16-19-15(20-21-16)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,18H2,1H3
InChIKeyBDNHYFANUSOQCQ-UHFFFAOYSA-N
XLogP3.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83209959
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763975
2-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214248
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762266
2-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214094
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764104
2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763990
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790306

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 83209392) is 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CC1(c2nc(CCc3ccccc3)no2)CCCCC1N.
What is the InChIKey of 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is BDNHYFANUSOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(12-6-5-9-14(17)18)16-19-15(20-21-16)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,18H2,1H3.
What are the key properties of 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 83209392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).