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

C11H9N7O4 — CID 167811511

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
SMILESCc1noc(CNC(=O)c2cnc(-c3noc(=O)[nH]3)cn2)n1
InChIInChI=1S/C11H9N7O4/c1-5-15-8(21-17-5)4-14-10(19)7-3-12-6(2-13-7)9-16-11(20)22-18-9/h2-3H,4H2,1H3,(H,14,19)(H,16,18,20)
InChIKeyLPLHGZCPYXOKIF-UHFFFAOYSA-N
MW303.24 g/mol
LogP-0.56
Rot. Bonds4

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide (PubChem CID 167811511) has the molecular formula C11H9N7O4 and a molecular weight of 303.24 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
PubChem CID167811511
Molecular FormulaC11H9N7O4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
SMILESCc1noc(CNC(=O)c2cnc(-c3noc(=O)[nH]3)cn2)n1
InChIInChI=1S/C11H9N7O4/c1-5-15-8(21-17-5)4-14-10(19)7-3-12-6(2-13-7)9-16-11(20)22-18-9/h2-3H,4H2,1H3,(H,14,19)(H,16,18,20)
InChIKeyLPLHGZCPYXOKIF-UHFFFAOYSA-N
XLogP-0.56
TPSA152.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685485
5-carbamothioyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 63749206
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
6-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035852
4-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62176835
3,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 54903055
5-bromo-2-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 62248272
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 107518684
3-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 105069474
1-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoquinoline-4-carboxamide
CID 106766043

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide (CID 167811511) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide is Cc1noc(CNC(=O)c2cnc(-c3noc(=O)[nH]3)cn2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is LPLHGZCPYXOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O4/c1-5-15-8(21-17-5)4-14-10(19)7-3-12-6(2-13-7)9-16-11(20)22-18-9/h2-3H,4H2,1H3,(H,14,19)(H,16,18,20).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 303.24 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 167811511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).