2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide

C24H17F6N3O2 — CID 87890046

IUPAC2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide
SMILESO=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1)C(F)(F)F
InChIInChI=1S/C24H17F6N3O2/c25-23(26,27)18-7-5-15(6-8-18)21-17(14-32-35-21)4-2-12-33(22(34)24(28,29)30)19-9-10-20-16(13-19)3-1-11-31-20/h1,3,5-11,13-14H,2,4,12H2
InChIKeyQJHXQZMJWJRNFS-UHFFFAOYSA-N
MW493.41 g/mol
LogP6.44
Rot. Bonds6

About 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide

2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide (PubChem CID 87890046) has the molecular formula C24H17F6N3O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide
PubChem CID87890046
Molecular FormulaC24H17F6N3O2
Molecular Weight493.41 g/mol
Exact Mass493.12
IUPAC Name2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide
SMILESO=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1)C(F)(F)F
InChIInChI=1S/C24H17F6N3O2/c25-23(26,27)18-7-5-15(6-8-18)21-17(14-32-35-21)4-2-12-33(22(34)24(28,29)30)19-9-10-20-16(13-19)3-1-11-31-20/h1,3,5-11,13-14H,2,4,12H2
InChIKeyQJHXQZMJWJRNFS-UHFFFAOYSA-N
XLogP6.44
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide (CID 87890046) is 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide is O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
The InChIKey is QJHXQZMJWJRNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N3O2/c25-23(26,27)18-7-5-15(6-8-18)21-17(14-32-35-21)4-2-12-33(22(34)24(28,29)30)19-9-10-20-16(13-19)3-1-11-31-20/h1,3,5-11,13-14H,2,4,12H2.
What are the key properties of 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide?
2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide has a molecular weight of 493.41 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-quinolin-6-yl-N-[3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propyl]acetamide is sourced from PubChem (CID 87890046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).