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

C17H14FN3O3 — CID 110391867

IUPACN-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)NCc3ccccc3F)o2)c1
InChIInChI=1S/C17H14FN3O3/c1-23-13-7-4-6-11(9-13)16-20-21-17(24-16)15(22)19-10-12-5-2-3-8-14(12)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyAUCYEDORDOVXCV-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.81
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391867) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391867
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)NCc3ccccc3F)o2)c1
InChIInChI=1S/C17H14FN3O3/c1-23-13-7-4-6-11(9-13)16-20-21-17(24-16)15(22)19-10-12-5-2-3-8-14(12)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyAUCYEDORDOVXCV-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

N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391860
3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide
CID 110615884
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391893
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
5-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22520135
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391867) is N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1cccc(-c2nnc(C(=O)NCc3ccccc3F)o2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AUCYEDORDOVXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-13-7-4-6-11(9-13)16-20-21-17(24-16)15(22)19-10-12-5-2-3-8-14(12)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-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 N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).