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

C16H14N4O2 — CID 46248926

IUPACN-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)9-18-14(21)16-20-19-15(22-16)13-3-2-8-17-10-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyFGNUEPHSLJKFJI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.37
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 46248926) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID46248926
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)9-18-14(21)16-20-19-15(22-16)13-3-2-8-17-10-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyFGNUEPHSLJKFJI-UHFFFAOYSA-N
XLogP2.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide (CID 46248926) is N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(CNC(=O)c2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FGNUEPHSLJKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)9-18-14(21)16-20-19-15(22-16)13-3-2-8-17-10-13/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 46248926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).