(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C16H21N3O — CID 104898627

IUPAC(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCC1CCC(c2noc([C@H](N)c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N3O/c1-11-7-9-13(10-8-11)15-18-16(20-19-15)14(17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,17H2,1H3/t11?,13?,14-/m1/s1
InChIKeyGTRCEOFYMSKGBV-UXUKBGGZSA-N
MW271.36 g/mol
LogP3.41
Rot. Bonds3

About (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898627) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898627
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCC1CCC(c2noc([C@H](N)c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N3O/c1-11-7-9-13(10-8-11)15-18-16(20-19-15)14(17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,17H2,1H3/t11?,13?,14-/m1/s1
InChIKeyGTRCEOFYMSKGBV-UXUKBGGZSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 65413074
(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
(R)-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103344419
(1S)-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902129
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
5-[chloro(phenyl)methyl]-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 65389372
3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
CID 119951202
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898627) is (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CC1CCC(c2noc([C@H](N)c3ccccc3)n2)CC1.
What is the InChIKey of (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is GTRCEOFYMSKGBV-UXUKBGGZSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-7-9-13(10-8-11)15-18-16(20-19-15)14(17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,17H2,1H3/t11?,13?,14-/m1/s1.
What are the key properties of (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).