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

C24H24F3N3O2 — CID 92616522

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)o1
InChIInChI=1S/C24H24F3N3O2/c1-15-22(32-16(2)29-15)23(31)30-10-4-6-19(14-30)21-9-8-18(13-28-21)11-17-5-3-7-20(12-17)24(25,26)27/h3,5,7-9,12-13,19H,4,6,10-11,14H2,1-2H3/t19-/m0/s1
InChIKeyYNVKIOLUCYRAKY-IBGZPJMESA-N
MW443.47 g/mol
LogP5.32
Rot. Bonds4

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 92616522) 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)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID92616522
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)o1
InChIInChI=1S/C24H24F3N3O2/c1-15-22(32-16(2)29-15)23(31)30-10-4-6-19(14-30)21-9-8-18(13-28-21)11-17-5-3-7-20(12-17)24(25,26)27/h3,5,7-9,12-13,19H,4,6,10-11,14H2,1-2H3/t19-/m0/s1
InChIKeyYNVKIOLUCYRAKY-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 92616522) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is YNVKIOLUCYRAKY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-15-22(32-16(2)29-15)23(31)30-10-4-6-19(14-30)21-9-8-18(13-28-21)11-17-5-3-7-20(12-17)24(25,26)27/h3,5,7-9,12-13,19H,4,6,10-11,14H2,1-2H3/t19-/m0/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(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)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 92616522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).