4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide

C23H17F3N4O4 — CID 134150104

IUPAC4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(F)(F)F)ccc2-c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C23H17F3N4O4/c1-32-15-7-3-13(4-8-15)20(31)28-19-17(11-12-18(27-19)23(24,25)26)22-30-29-21(34-22)14-5-9-16(33-2)10-6-14/h3-12H,1-2H3,(H,27,28,31)
InChIKeyWIJQLOQDJLMITR-UHFFFAOYSA-N
MW470.41 g/mol
LogP5.09
Rot. Bonds6

About 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide

4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 134150104) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID134150104
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC Name4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(F)(F)F)ccc2-c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C23H17F3N4O4/c1-32-15-7-3-13(4-8-15)20(31)28-19-17(11-12-18(27-19)23(24,25)26)22-30-29-21(34-22)14-5-9-16(33-2)10-6-14/h3-12H,1-2H3,(H,27,28,31)
InChIKeyWIJQLOQDJLMITR-UHFFFAOYSA-N
XLogP5.09
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

Diethyl-[3-[[5-[5-(4-isobutoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridyl]amino]propyl]amine
CID 2526579
Ethyl 2,6-dimethyl-5-[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine-3-carboxylate
CID 1261124
2-(2-Methylquinolin-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 76313601
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 134132706
3-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134133694
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134141890
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
CID 134148010
4-methoxy-N-[6-phenyl-3-(2H-tetrazol-5-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 139220090
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 53134007
N-[2-(Azepan-1-YL)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 53134016
N-{2-[Cyclohexyl(methyl)amino]ethyl}-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 83275065
6-[4-(5-{[3-(Trifluoromethyl)phenyl]amino}-1,3,4-oxadiazol-2-yl)phenoxy}pyrimidine-2,4-diamine
CID 11510220

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide (CID 134150104) is 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2nc(C(F)(F)F)ccc2-c2nnc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is WIJQLOQDJLMITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c1-32-15-7-3-13(4-8-15)20(31)28-19-17(11-12-18(27-19)23(24,25)26)22-30-29-21(34-22)14-5-9-16(33-2)10-6-14/h3-12H,1-2H3,(H,27,28,31).
What are the key properties of 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide?
4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 470.41 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 134150104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).