2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol

C17H21N7O2 — CID 46985548

IUPAC2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCc1noc(-c2ccnc(N3CCC(n4cc(CCO)nn4)CC3)c2)n1
InChIInChI=1S/C17H21N7O2/c1-12-19-17(26-21-12)13-2-6-18-16(10-13)23-7-3-15(4-8-23)24-11-14(5-9-25)20-22-24/h2,6,10-11,15,25H,3-5,7-9H2,1H3
InChIKeyUARVEHBMTGRXPB-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.41
Rot. Bonds5

About 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol

2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 46985548) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID46985548
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCc1noc(-c2ccnc(N3CCC(n4cc(CCO)nn4)CC3)c2)n1
InChIInChI=1S/C17H21N7O2/c1-12-19-17(26-21-12)13-2-6-18-16(10-13)23-7-3-15(4-8-23)24-11-14(5-9-25)20-22-24/h2,6,10-11,15,25H,3-5,7-9H2,1H3
InChIKeyUARVEHBMTGRXPB-UHFFFAOYSA-N
XLogP1.41
TPSA105.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 169413534
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279
5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 56713734
(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 166619181
(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688984
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770093
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol (CID 46985548) is 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol is Cc1noc(-c2ccnc(N3CCC(n4cc(CCO)nn4)CC3)c2)n1.
What is the InChIKey of 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is UARVEHBMTGRXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-12-19-17(26-21-12)13-2-6-18-16(10-13)23-7-3-15(4-8-23)24-11-14(5-9-25)20-22-24/h2,6,10-11,15,25H,3-5,7-9H2,1H3.
What are the key properties of 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol?
2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 355.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 46985548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).