5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C15H11ClN4O2 — CID 6621730

IUPAC5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H11ClN4O2/c16-11-5-3-4-10(8-11)14-19-20-15(22-14)13(21)18-9-12-6-1-2-7-17-12/h1-8H,9H2,(H,18,21)
InChIKeyNSLNVKSIWGYEJG-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.71
Rot. Bonds4

About 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 6621730) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID6621730
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H11ClN4O2/c16-11-5-3-4-10(8-11)14-19-20-15(22-14)13(21)18-9-12-6-1-2-7-17-12/h1-8H,9H2,(H,18,21)
InChIKeyNSLNVKSIWGYEJG-UHFFFAOYSA-N
XLogP2.71
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)hept-6-yne
CID 16737627
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
N-(3-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 2746574
N-(3-Chloro-phenyl)-2-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 3161730
2-(3-Chloro-phenyl)-5-[(pyridin-3-ylmethyl)-amino]-oxazole-4-carbonitrile
CID 943481
(2-Chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2333837
3-chloro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4056807
5-[(4-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5308447

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 6621730) is 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccn1)c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is NSLNVKSIWGYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-11-5-3-4-10(8-11)14-19-20-15(22-14)13(21)18-9-12-6-1-2-7-17-12/h1-8H,9H2,(H,18,21).
What are the key properties of 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 6621730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).