N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide

C23H17F3N4O3 — CID 167941351

IUPACN-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(-c2noc(-c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)c1)C1CCC1
InChIInChI=1S/C23H17F3N4O3/c24-23(25,26)15-8-7-13-10-17(21(32)28-18(13)11-15)22-29-19(30-33-22)14-5-2-6-16(9-14)27-20(31)12-3-1-4-12/h2,5-12H,1,3-4H2,(H,27,31)(H,28,32)
InChIKeyZRKWJDIRZJBSID-UHFFFAOYSA-N
MW454.41 g/mol
LogP5.00
Rot. Bonds4

About N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide

N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide (PubChem CID 167941351) has the molecular formula C23H17F3N4O3 and a molecular weight of 454.41 g/mol. Its IUPAC name is N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
PubChem CID167941351
Molecular FormulaC23H17F3N4O3
Molecular Weight454.41 g/mol
Exact Mass454.13
IUPAC NameN-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(-c2noc(-c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)c1)C1CCC1
InChIInChI=1S/C23H17F3N4O3/c24-23(25,26)15-8-7-13-10-17(21(32)28-18(13)11-15)22-29-19(30-33-22)14-5-2-6-16(9-14)27-20(31)12-3-1-4-12/h2,5-12H,1,3-4H2,(H,27,31)(H,28,32)
InChIKeyZRKWJDIRZJBSID-UHFFFAOYSA-N
XLogP5.00
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
N-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521962
(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92870351
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635714
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide
CID 122152346
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-[3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 154862591
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 20922834

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide (CID 167941351) is N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(-c2noc(-c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)c1)C1CCC1.
What is the InChIKey of N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is ZRKWJDIRZJBSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3/c24-23(25,26)15-8-7-13-10-17(21(32)28-18(13)11-15)22-29-19(30-33-22)14-5-2-6-16(9-14)27-20(31)12-3-1-4-12/h2,5-12H,1,3-4H2,(H,27,31)(H,28,32).
What are the key properties of N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide?
N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 454.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 167941351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).