4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide

C10H6F3N3O2 — CID 139473568

IUPAC4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)9-16-15-8(18-9)6-3-1-5(2-4-6)7(14)17/h1-4H,(H2,14,17)
InChIKeyNOWFKVBUFAGBER-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.85
Rot. Bonds2

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

4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 139473568) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID139473568
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)9-16-15-8(18-9)6-3-1-5(2-4-6)7(14)17/h1-4H,(H2,14,17)
InChIKeyNOWFKVBUFAGBER-UHFFFAOYSA-N
XLogP1.85
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 178189718
2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 138717926
ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide
CID 177180387
tert-butyl N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate
CID 126507716
5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22661082
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 126544271
3,6-dimethyl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 103431046
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309694
2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2781090
2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171390427
1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
CID 160758866

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 139473568) is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nnc(C(F)(F)F)o2)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NOWFKVBUFAGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)9-16-15-8(18-9)6-3-1-5(2-4-6)7(14)17/h1-4H,(H2,14,17).
What are the key properties of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 257.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 139473568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).