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

C15H11BrN4O2 — CID 29133788

IUPAC5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H11BrN4O2/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)
InChIKeyZFXJHICCPBMCMY-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.82
Rot. Bonds4

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

5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 29133788) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID29133788
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H11BrN4O2/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)
InChIKeyZFXJHICCPBMCMY-UHFFFAOYSA-N
XLogP2.82
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392445
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
5-[(3-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431821
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 58458867
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391867
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 29133788) is 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccn1)c1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZFXJHICCPBMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/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-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 359.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 29133788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).