4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide

C16H10F3N3O3 — CID 57381311

IUPAC4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1no[nH]c1=O
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(23)13-15(24)22-25-21-13/h1-8H,(H,20,23)(H,22,24)
InChIKeyNKEASJIPNFEXOM-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.30
Rot. Bonds3

About 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide

4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 57381311) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID57381311
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC Name4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1no[nH]c1=O
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(23)13-15(24)22-25-21-13/h1-8H,(H,20,23)(H,22,24)
InChIKeyNKEASJIPNFEXOM-UHFFFAOYSA-N
XLogP3.30
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
3-(4-carbamoylphenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 139392279
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 44564727
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 57381311) is 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide is O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1no[nH]c1=O.
What is the InChIKey of 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NKEASJIPNFEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c17-16(18,19)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(23)13-15(24)22-25-21-13/h1-8H,(H,20,23)(H,22,24).
What are the key properties of 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 57381311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).