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

C16H23N3O2 — CID 106483631

IUPACN-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1nc(-c2ccoc2C)no1
InChIInChI=1S/C16H23N3O2/c1-3-17-14-7-5-4-6-12(14)10-15-18-16(19-21-15)13-8-9-20-11(13)2/h8-9,12,14,17H,3-7,10H2,1-2H3
InChIKeyPGKRHPLSVRSPFG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.35
Rot. Bonds5

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

N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483631) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483631
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1nc(-c2ccoc2C)no1
InChIInChI=1S/C16H23N3O2/c1-3-17-14-7-5-4-6-12(14)10-15-18-16(19-21-15)13-8-9-20-11(13)2/h8-9,12,14,17H,3-7,10H2,1-2H3
InChIKeyPGKRHPLSVRSPFG-UHFFFAOYSA-N
XLogP3.35
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483631) is N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CCNC1CCCCC1Cc1nc(-c2ccoc2C)no1.
What is the InChIKey of N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is PGKRHPLSVRSPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-17-14-7-5-4-6-12(14)10-15-18-16(19-21-15)13-8-9-20-11(13)2/h8-9,12,14,17H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).