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

C16H27N3O2 — CID 106483538

IUPACN-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1nc(C2(C)CCCO2)no1
InChIInChI=1S/C16H27N3O2/c1-3-17-13-8-5-4-7-12(13)11-14-18-15(19-21-14)16(2)9-6-10-20-16/h12-13,17H,3-11H2,1-2H3
InChIKeyNFRLMFRXMZWHCG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.81
Rot. Bonds5

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

N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483538) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483538
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1nc(C2(C)CCCO2)no1
InChIInChI=1S/C16H27N3O2/c1-3-17-13-8-5-4-7-12(13)11-14-18-15(19-21-14)16(2)9-6-10-20-16/h12-13,17H,3-11H2,1-2H3
InChIKeyNFRLMFRXMZWHCG-UHFFFAOYSA-N
XLogP2.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
N-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483402
5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690666
N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483631
3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 80691095
2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483179
N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80681119
1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80681737
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80681354
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
methyl 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 80690674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483538) is N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CCNC1CCCCC1Cc1nc(C2(C)CCCO2)no1.
What is the InChIKey of N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is NFRLMFRXMZWHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-13-8-5-4-7-12(13)11-14-18-15(19-21-14)16(2)9-6-10-20-16/h12-13,17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.81, 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-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).