5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C16H12ClFN4O2 — CID 23004477

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C16H12ClFN4O2/c17-12-5-3-6-13(18)11(12)8-14-21-22-16(24-14)15(23)20-9-10-4-1-2-7-19-10/h1-7H,8-9H2,(H,20,23)
InChIKeyXLGWTYRGEOONRR-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.78
Rot. Bonds5

About 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 23004477) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID23004477
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C16H12ClFN4O2/c17-12-5-3-6-13(18)11(12)8-14-21-22-16(24-14)15(23)20-9-10-4-1-2-7-19-10/h1-7H,8-9H2,(H,20,23)
InChIKeyXLGWTYRGEOONRR-UHFFFAOYSA-N
XLogP2.78
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5308447
5-(4-fluorobenzyl)-N-(3-pyridylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5309957
5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 666624
[5-[(2-Chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 22432240
N-[(2-Chloro-4-fluorophenyl)methyl]-2-[5-(pyridin-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 52906403
5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride
CID 127029313
5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621730
5-[(4-Fluorophenyl)methyl]-N-[(pyridin-4-YL)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431551
5-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431552
5-(3-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22520086
5-(3-fluorobenzyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22520096
3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56858685

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 23004477) is 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccn1)c1nnc(Cc2c(F)cccc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XLGWTYRGEOONRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-12-5-3-6-13(18)11(12)8-14-21-22-16(24-14)15(23)20-9-10-4-1-2-7-19-10/h1-7H,8-9H2,(H,20,23).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 23004477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).