(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

C24H24F3N3O2 — CID 92616697

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)o1
InChIInChI=1S/C24H24F3N3O2/c1-15-22(32-16(2)29-15)23(31)30-11-9-19(10-12-30)21-8-5-18(14-28-21)13-17-3-6-20(7-4-17)24(25,26)27/h3-8,14,19H,9-13H2,1-2H3
InChIKeyPSXNMMKHNQATQE-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.32
Rot. Bonds4

About (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 92616697) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID92616697
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)o1
InChIInChI=1S/C24H24F3N3O2/c1-15-22(32-16(2)29-15)23(31)30-11-9-19(10-12-30)21-8-5-18(14-28-21)13-17-3-6-20(7-4-17)24(25,26)27/h3-8,14,19H,9-13H2,1-2H3
InChIKeyPSXNMMKHNQATQE-UHFFFAOYSA-N
XLogP5.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 16188819
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817537
(4-Methyl-1,3-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658803
4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
CID 56676116
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 56682633
(2-Methyl-1,3-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56682639
2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 56682748
3-[2-(3,4-Difluorophenyl)ethyl]-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidine
CID 45223663
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(4-pyridinylmethyl)-2-piperazinecarboxamide
CID 56884395
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]-1,3-oxazole-5-carboxamide
CID 177051268
4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide
CID 177051508

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 92616697) is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is PSXNMMKHNQATQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-15-22(32-16(2)29-15)23(31)30-11-9-19(10-12-30)21-8-5-18(14-28-21)13-17-3-6-20(7-4-17)24(25,26)27/h3-8,14,19H,9-13H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 443.47 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 92616697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).