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

C21H13F3N4O2 — CID 134141890

IUPACN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)16-12-11-15(17(25-16)26-18(29)13-7-3-1-4-8-13)20-28-27-19(30-20)14-9-5-2-6-10-14/h1-12H,(H,25,26,29)
InChIKeyXBXKIPVUKVTJGJ-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.07
Rot. Bonds4

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

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 134141890) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID134141890
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)16-12-11-15(17(25-16)26-18(29)13-7-3-1-4-8-13)20-28-27-19(30-20)14-9-5-2-6-10-14/h1-12H,(H,25,26,29)
InChIKeyXBXKIPVUKVTJGJ-UHFFFAOYSA-N
XLogP5.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 136241425
US11390631, Example 130
CID 134461475
N-(pyridin-4-ylmethyl)-3-(5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 53318517
3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134132159
3-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134133694
3-[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134136485
N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 134143847
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 134143904
N-(3-fluorophenyl)-3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 134146064
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
CID 134148010
4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134150104
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 134153275

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide (CID 134141890) is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is XBXKIPVUKVTJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-21(23,24)16-12-11-15(17(25-16)26-18(29)13-7-3-1-4-8-13)20-28-27-19(30-20)14-9-5-2-6-10-14/h1-12H,(H,25,26,29).
What are the key properties of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 410.36 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 134141890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).