2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine

C16H23N3O2 — CID 106483353

IUPAC2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H23N3O2/c1-2-9-17-13-7-4-3-6-12(13)11-15-18-16(19-21-15)14-8-5-10-20-14/h5,8,10,12-13,17H,2-4,6-7,9,11H2,1H3
InChIKeyLZSUTADVBKUHKH-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.43
Rot. Bonds6

About 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine

2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (PubChem CID 106483353) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
PubChem CID106483353
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H23N3O2/c1-2-9-17-13-7-4-3-6-12(13)11-15-18-16(19-21-15)14-8-5-10-20-14/h5,8,10,12-13,17H,2-4,6-7,9,11H2,1H3
InChIKeyLZSUTADVBKUHKH-UHFFFAOYSA-N
XLogP3.43
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-[[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483555
N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483631
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483396
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483445
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483455
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 79608373
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (CID 106483353) is 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is LZSUTADVBKUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-9-17-13-7-4-3-6-12(13)11-15-18-16(19-21-15)14-8-5-10-20-14/h5,8,10,12-13,17H,2-4,6-7,9,11H2,1H3.
What are the key properties of 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106483353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).