3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol

C16H29N3O2 — CID 110013337

IUPAC3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
SMILESCCc1noc(C2CCC(NCC(CC)CCO)CC2)n1
InChIInChI=1S/C16H29N3O2/c1-3-12(9-10-20)11-17-14-7-5-13(6-8-14)16-18-15(4-2)19-21-16/h12-14,17,20H,3-11H2,1-2H3
InChIKeyCTOYRWWVXWDWAN-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.66
Rot. Bonds8

About 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol

3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol (PubChem CID 110013337) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
PubChem CID110013337
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
SMILESCCc1noc(C2CCC(NCC(CC)CCO)CC2)n1
InChIInChI=1S/C16H29N3O2/c1-3-12(9-10-20)11-17-14-7-5-13(6-8-14)16-18-15(4-2)19-21-16/h12-14,17,20H,3-11H2,1-2H3
InChIKeyCTOYRWWVXWDWAN-UHFFFAOYSA-N
XLogP2.66
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
CID 110012282
[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 110013138
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
CID 75473258
2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
CID 110012312
2-[[5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-2-pyridinyl]oxy]ethanol
CID 110013550
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350837
2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
CID 110013500
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
CID 138042647
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
4-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 113391752

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol (CID 110013337) is 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol is CCc1noc(C2CCC(NCC(CC)CCO)CC2)n1.
What is the InChIKey of 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol?
The InChIKey is CTOYRWWVXWDWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-12(9-10-20)11-17-14-7-5-13(6-8-14)16-18-15(4-2)19-21-16/h12-14,17,20H,3-11H2,1-2H3.
What are the key properties of 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol?
3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 110013337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).