N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide

C15H13N5O3 — CID 45369782

IUPACN-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C15H13N5O3/c1-22-11-4-2-10(3-5-11)8-18-14(21)15-19-13(20-23-15)12-9-16-6-7-17-12/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyMEKAVWFWPQVAIU-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.47
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45369782) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID45369782
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C15H13N5O3/c1-22-11-4-2-10(3-5-11)8-18-14(21)15-19-13(20-23-15)12-9-16-6-7-17-12/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyMEKAVWFWPQVAIU-UHFFFAOYSA-N
XLogP1.47
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 71794055
3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42571035
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29127360
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205292
N-cyclopentyl-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45370232
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 24969528
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 45369782) is N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide is COc1ccc(CNC(=O)c2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MEKAVWFWPQVAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-22-11-4-2-10(3-5-11)8-18-14(21)15-19-13(20-23-15)12-9-16-6-7-17-12/h2-7,9H,8H2,1H3,(H,18,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45369782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).