3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H12FN3O3 — CID 4626316

IUPAC3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1
InChIInChI=1S/C16H12FN3O3/c1-22-13-7-3-5-11(9-13)15-19-20-16(23-15)18-14(21)10-4-2-6-12(17)8-10/h2-9H,1H3,(H,18,20,21)
InChIKeyNIGSVUNUCMDERC-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.14
Rot. Bonds4

About 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4626316) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4626316
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1
InChIInChI=1S/C16H12FN3O3/c1-22-13-7-3-5-11(9-13)15-19-20-16(23-15)18-14(21)10-4-2-6-12(17)8-10/h2-9H,1H3,(H,18,20,21)
InChIKeyNIGSVUNUCMDERC-UHFFFAOYSA-N
XLogP3.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 256462
3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 691744
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 2104218
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158928
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158939
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-methylbenzamide
CID 3426335

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4626316) is 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1cccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1.
What is the InChIKey of 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NIGSVUNUCMDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-22-13-7-3-5-11(9-13)15-19-20-16(23-15)18-14(21)10-4-2-6-12(17)8-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 313.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4626316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).