N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C16H12ClFN4O2 — CID 52906403

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2ccccn2)o1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN4O2/c17-12-7-11(18)5-4-10(12)9-20-14(23)8-15-21-22-16(24-15)13-3-1-2-6-19-13/h1-7H,8-9H2,(H,20,23)
InChIKeyWOHXMCKHYRZMJE-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.78
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 52906403) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID52906403
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2ccccn2)o1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN4O2/c17-12-7-11(18)5-4-10(12)9-20-14(23)8-15-21-22-16(24-15)13-3-1-2-6-19-13/h1-7H,8-9H2,(H,20,23)
InChIKeyWOHXMCKHYRZMJE-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

N-(3-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 2746574
5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 155566837
N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 2746573
(3R)-3-ethenyl-3-[5-[3-[4-(trifluoromethyl)anilino]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 168166699
N-benzyl-1-[5-(2,4-dichloro-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 86287844
N-benzyl-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 90671389
N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(1H-pyrrol-2-yl)methanamine
CID 90671390
5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide;hydrochloride
CID 127029313
2-(2-Fluorophenyl)-5-(2-pyridyl)-1,3,4-oxadiazole
CID 15957159
2-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 15957161
WO2022112139, Example 23
CID 163378777
5-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621730

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 52906403) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2ccccn2)o1)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WOHXMCKHYRZMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-12-7-11(18)5-4-10(12)9-20-14(23)8-15-21-22-16(24-15)13-3-1-2-6-19-13/h1-7H,8-9H2,(H,20,23).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide 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 N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 52906403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).