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

C17H14FN3O3 — CID 110392627

IUPAC5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H14FN3O3/c1-23-14-8-2-11(3-9-14)10-19-15(22)17-21-20-16(24-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXGXYSULMNVEKEK-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.81
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392627) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392627
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H14FN3O3/c1-23-14-8-2-11(3-9-14)10-19-15(22)17-21-20-16(24-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXGXYSULMNVEKEK-UHFFFAOYSA-N
XLogP2.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7300658
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392671
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011963
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 110392627) is 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccc(CNC(=O)c2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XGXYSULMNVEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-14-8-2-11(3-9-14)10-19-15(22)17-21-20-16(24-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).