N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide

C24H20FN3O4 — CID 4782503

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C24H20FN3O4/c1-2-30-19-13-9-17(10-14-19)23-27-28-24(32-23)26-22(29)20-5-3-4-6-21(20)31-15-16-7-11-18(25)12-8-16/h3-14H,2,15H2,1H3,(H,26,28,29)
InChIKeyQRWYJNZJEHWDFH-UHFFFAOYSA-N
MW433.44 g/mol
LogP5.11
Rot. Bonds8

About N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 4782503) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID4782503
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C24H20FN3O4/c1-2-30-19-13-9-17(10-14-19)23-27-28-24(32-23)26-22(29)20-5-3-4-6-21(20)31-15-16-7-11-18(25)12-8-16/h3-14H,2,15H2,1H3,(H,26,28,29)
InChIKeyQRWYJNZJEHWDFH-UHFFFAOYSA-N
XLogP5.11
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975649
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43975698
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
CID 45013153
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975783
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 4782503) is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide is CCOc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is QRWYJNZJEHWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-2-30-19-13-9-17(10-14-19)23-27-28-24(32-23)26-22(29)20-5-3-4-6-21(20)31-15-16-7-11-18(25)12-8-16/h3-14H,2,15H2,1H3,(H,26,28,29).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 433.44 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 4782503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).