2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol

C13H23N3O2 — CID 109397889

IUPAC2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol
SMILESCCc1noc(C(C)N(C)CC2CCCC2O)n1
InChIInChI=1S/C13H23N3O2/c1-4-12-14-13(18-15-12)9(2)16(3)8-10-6-5-7-11(10)17/h9-11,17H,4-8H2,1-3H3
InChIKeyYMOCATJSMSYEQX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.79
Rot. Bonds5

About 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol

2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109397889) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109397889
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol
SMILESCCc1noc(C(C)N(C)CC2CCCC2O)n1
InChIInChI=1S/C13H23N3O2/c1-4-12-14-13(18-15-12)9(2)16(3)8-10-6-5-7-11(10)17/h9-11,17H,4-8H2,1-3H3
InChIKeyYMOCATJSMSYEQX-UHFFFAOYSA-N
XLogP1.79
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine
CID 129342366
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95154008
2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol
CID 109398457
(1R)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 129336240
2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62608844
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 78843166
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 143984841
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 109398796
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide
CID 52565512
2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
CID 95344493
cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide
CID 124864971

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol (CID 109397889) is 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol is CCc1noc(C(C)N(C)CC2CCCC2O)n1.
What is the InChIKey of 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is YMOCATJSMSYEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-12-14-13(18-15-12)9(2)16(3)8-10-6-5-7-11(10)17/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol?
2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).