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

C11H10FN3O2 — CID 5307558

IUPAC5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C11H10FN3O2/c1-13-10(16)11-15-14-9(17-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16)
InChIKeyDLAYDSAYELTMPY-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.16
Rot. Bonds3

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

5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5307558) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID5307558
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C11H10FN3O2/c1-13-10(16)11-15-14-9(17-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16)
InChIKeyDLAYDSAYELTMPY-UHFFFAOYSA-N
XLogP1.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorobenzyl)-N-phenethyl-1,3,4-oxadiazole-2-carboxamide
CID 16017897
5-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5307871
5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621783
5-[(4-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017929
5-[(3-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017909
5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 5307743
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560
5-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017901
5-[(4-chlorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
CID 9550787
N-benzyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017907
5-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621785
N-[2-(4-chlorophenyl)ethyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 15989843

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide (CID 5307558) is 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide is CNC(=O)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DLAYDSAYELTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-13-10(16)11-15-14-9(17-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5307558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).