N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C13H14N6O3 — CID 71785197

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)o1
InChIInChI=1S/C13H14N6O3/c1-8-17-18-11(22-8)5-16-12(20)9-6-19(7-9)13(21)10-4-14-2-3-15-10/h2-4,9H,5-7H2,1H3,(H,16,20)
InChIKeyJJJSDYIFXVYGDM-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.44
Rot. Bonds4

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 71785197) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID71785197
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)o1
InChIInChI=1S/C13H14N6O3/c1-8-17-18-11(22-8)5-16-12(20)9-6-19(7-9)13(21)10-4-14-2-3-15-10/h2-4,9H,5-7H2,1H3,(H,16,20)
InChIKeyJJJSDYIFXVYGDM-UHFFFAOYSA-N
XLogP-0.44
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97485458
[(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97483707
1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90510918
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 71785534
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513961
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 71785197) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is Cc1nnc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is JJJSDYIFXVYGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-8-17-18-11(22-8)5-16-12(20)9-6-19(7-9)13(21)10-4-14-2-3-15-10/h2-4,9H,5-7H2,1H3,(H,16,20).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 302.29 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).