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

C16H21N3O2 — CID 61353308

IUPAC1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCOc1cccc(Cc2nc(C3(N)CCCCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c1-20-13-7-5-6-12(10-13)11-14-18-15(19-21-14)16(17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11,17H2,1H3
InChIKeyCVRQFWNKBVTLJI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.79
Rot. Bonds4

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

1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61353308) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61353308
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCOc1cccc(Cc2nc(C3(N)CCCCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c1-20-13-7-5-6-12(10-13)11-14-18-15(19-21-14)16(17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11,17H2,1H3
InChIKeyCVRQFWNKBVTLJI-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568
1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862308
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786
1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 61291586
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857317
5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole
CID 58842687
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860856
1-[5-[2-(3-cyclopentyloxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864617

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61353308) is 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is COc1cccc(Cc2nc(C3(N)CCCCC3)no2)c1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is CVRQFWNKBVTLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-13-7-5-6-12(10-13)11-14-18-15(19-21-14)16(17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11,17H2,1H3.
What are the key properties of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61353308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).