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

C16H12FN3O3 — CID 4686761

IUPAC4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H12FN3O3/c1-22-13-8-4-11(5-9-13)15-19-20-16(23-15)18-14(21)10-2-6-12(17)7-3-10/h2-9H,1H3,(H,18,20,21)
InChIKeyPYEOEQNWKWVZFZ-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.14
Rot. Bonds4

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

4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4686761) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4686761
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H12FN3O3/c1-22-13-8-4-11(5-9-13)15-19-20-16(23-15)18-14(21)10-2-6-12(17)7-3-10/h2-9H,1H3,(H,18,20,21)
InChIKeyPYEOEQNWKWVZFZ-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-(2,3-Dihydro-1-benzofuran-5-yl)-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine
CID 44590413
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 679504
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
N,5-bis(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 49855566
5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 2369673
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
5-(4-methoxyphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 13901969
2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole
CID 70059
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 146511999
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 162369050

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4686761) is 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is PYEOEQNWKWVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-22-13-8-4-11(5-9-13)15-19-20-16(23-15)18-14(21)10-2-6-12(17)7-3-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-fluoro-N-[5-(4-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 4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4686761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).