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

C19H14F3N3O2 — CID 146461203

IUPACN-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(C2(c3noc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)17-24-16(25-27-17)18(10-11-18)13-8-6-12(7-9-13)15(26)23-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,23,26)
InChIKeyUOVNOGVBYLLXTB-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.42
Rot. Bonds4

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

N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide (PubChem CID 146461203) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide
PubChem CID146461203
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(C2(c3noc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)17-24-16(25-27-17)18(10-11-18)13-8-6-12(7-9-13)15(26)23-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,23,26)
InChIKeyUOVNOGVBYLLXTB-UHFFFAOYSA-N
XLogP4.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide
CID 576657
3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139464968
4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 59581444
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide
CID 146461205
4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide
CID 146461134
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120530908
N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 166213399
N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
CID 66710123
2-[[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 156537735

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide?
The IUPAC name of N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide (CID 146461203) is N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide.
What is the SMILES notation for N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide?
The canonical SMILES for N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide is O=C(Nc1ccccc1)c1ccc(C2(c3noc(C(F)(F)F)n3)CC2)cc1.
What is the InChIKey of N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide?
The InChIKey is UOVNOGVBYLLXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)17-24-16(25-27-17)18(10-11-18)13-8-6-12(7-9-13)15(26)23-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,23,26).
What are the key properties of N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide?
N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide has a molecular weight of 373.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide is sourced from PubChem (CID 146461203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).