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

C16H21N3O — CID 63351048

IUPAC2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1ccccc1Cc1noc(C2CCCCC2N)n1
InChIInChI=1S/C16H21N3O/c1-11-6-2-3-7-12(11)10-15-18-16(20-19-15)13-8-4-5-9-14(13)17/h2-3,6-7,13-14H,4-5,8-10,17H2,1H3
InChIKeyZMBOMYZQCZYQCW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds3

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

2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 63351048) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID63351048
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1ccccc1Cc1noc(C2CCCCC2N)n1
InChIInChI=1S/C16H21N3O/c1-11-6-2-3-7-12(11)10-15-18-16(20-19-15)13-8-4-5-9-14(13)17/h2-3,6-7,13-14H,4-5,8-10,17H2,1H3
InChIKeyZMBOMYZQCZYQCW-UHFFFAOYSA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963
N-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350657
2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63350679
2-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63349993
cis-(1S,2R)-2-[3-[(3-methoxy-4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 154771318
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 102894580
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79077058
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63640322
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639
2-[5-(2-aminocyclopentyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827152
cyclopropyl-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 62695171
3-[(2-methylphenyl)methyl]-5-(6-oxaspiro[2.5]octan-2-yl)-1,2,4-oxadiazole
CID 126815802

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 63351048) is 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is Cc1ccccc1Cc1noc(C2CCCCC2N)n1.
What is the InChIKey of 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is ZMBOMYZQCZYQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-2-3-7-12(11)10-15-18-16(20-19-15)13-8-4-5-9-14(13)17/h2-3,6-7,13-14H,4-5,8-10,17H2,1H3.
What are the key properties of 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 63351048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).