1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C18H25N3O2 — CID 120866510

IUPAC1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccccc2OC2CCCCC2)n1
InChIInChI=1S/C18H25N3O2/c1-13(19-2)12-17-20-18(23-21-17)15-10-6-7-11-16(15)22-14-8-4-3-5-9-14/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3
InChIKeyZHUKAQOEQACZPJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.60
Rot. Bonds6

About 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866510) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866510
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccccc2OC2CCCCC2)n1
InChIInChI=1S/C18H25N3O2/c1-13(19-2)12-17-20-18(23-21-17)15-10-6-7-11-16(15)22-14-8-4-3-5-9-14/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3
InChIKeyZHUKAQOEQACZPJ-UHFFFAOYSA-N
XLogP3.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869465
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 120865038
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866604
N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867699
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 137096135
N-methyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylbenzenesulfonamide;hydrochloride
CID 120869121

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866510) is 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2ccccc2OC2CCCCC2)n1.
What is the InChIKey of 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is ZHUKAQOEQACZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(19-2)12-17-20-18(23-21-17)15-10-6-7-11-16(15)22-14-8-4-3-5-9-14/h6-7,10-11,13-14,19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 315.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).