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

C16H21N3O2 — CID 106483329

IUPAC2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCOc1cccc(-c2noc(CC3CCCCC3N)n2)c1
InChIInChI=1S/C16H21N3O2/c1-20-13-7-4-6-12(9-13)16-18-15(21-19-16)10-11-5-2-3-8-14(11)17/h4,6-7,9,11,14H,2-3,5,8,10,17H2,1H3
InChIKeyQVUUAHLXVXNDFL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds4

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

2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483329) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483329
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCOc1cccc(-c2noc(CC3CCCCC3N)n2)c1
InChIInChI=1S/C16H21N3O2/c1-20-13-7-4-6-12(9-13)16-18-15(21-19-16)10-11-5-2-3-8-14(11)17/h4,6-7,9,11,14H,2-3,5,8,10,17H2,1H3
InChIKeyQVUUAHLXVXNDFL-UHFFFAOYSA-N
XLogP2.81
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
5-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 126791199
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
(4aS,8aS)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95154066
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483329) is 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is COc1cccc(-c2noc(CC3CCCCC3N)n2)c1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is QVUUAHLXVXNDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-13-7-4-6-12(9-13)16-18-15(21-19-16)10-11-5-2-3-8-14(11)17/h4,6-7,9,11,14H,2-3,5,8,10,17H2,1H3.
What are the key properties of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).