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

C15H12Cl2N4O2 — CID 127029313

IUPAC5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccncc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN4O2.ClH/c16-12-3-1-11(2-4-12)14-19-20-15(22-14)13(21)18-9-10-5-7-17-8-6-10;/h1-8H,9H2,(H,18,21);1H
InChIKeyNVSCOGCADSBXRI-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.14
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride (PubChem CID 127029313) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride
PubChem CID127029313
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccncc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN4O2.ClH/c16-12-3-1-11(2-4-12)14-19-20-15(22-14)13(21)18-9-10-5-7-17-8-6-10;/h1-8H,9H2,(H,18,21);1H
InChIKeyNVSCOGCADSBXRI-UHFFFAOYSA-N
XLogP3.14
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride (CID 127029313) is 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccncc1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride?
The InChIKey is NVSCOGCADSBXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2.ClH/c16-12-3-1-11(2-4-12)14-19-20-15(22-14)13(21)18-9-10-5-7-17-8-6-10;/h1-8H,9H2,(H,18,21);1H.
What are the key properties of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride?
5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride has a molecular weight of 351.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 127029313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).