1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

C11H15N7O2 — CID 106415982

IUPAC1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cn(C3CNC3)nn2)no1
InChIInChI=1S/C11H15N7O2/c1-7-14-10(16-20-7)2-3-13-11(19)9-6-18(17-15-9)8-4-12-5-8/h6,8,12H,2-5H2,1H3,(H,13,19)
InChIKeyOXADNBZIOUKKGX-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.91
Rot. Bonds5

About 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 106415982) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID106415982
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cn(C3CNC3)nn2)no1
InChIInChI=1S/C11H15N7O2/c1-7-14-10(16-20-7)2-3-13-11(19)9-6-18(17-15-9)8-4-12-5-8/h6,8,12H,2-5H2,1H3,(H,13,19)
InChIKeyOXADNBZIOUKKGX-UHFFFAOYSA-N
XLogP-0.91
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
CID 106047571
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
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1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70742026
1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
CID 79320078
1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70777138
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide
CID 79326136
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 79316777
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (CID 106415982) is 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is Cc1nc(CCNC(=O)c2cn(C3CNC3)nn2)no1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is OXADNBZIOUKKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-7-14-10(16-20-7)2-3-13-11(19)9-6-18(17-15-9)8-4-12-5-8/h6,8,12H,2-5H2,1H3,(H,13,19).
What are the key properties of 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 106415982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).