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

C24H25F3N4O2 — CID 56658923

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C24H25F3N4O2/c1-15-21(16(2)33-30-15)23(32)31-12-9-20(10-13-31)29-22(18-4-3-11-28-14-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14,20,22,29H,9-10,12-13H2,1-2H3
InChIKeyKRMQURPQWSUWBU-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.69
Rot. Bonds5

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (PubChem CID 56658923) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
PubChem CID56658923
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C24H25F3N4O2/c1-15-21(16(2)33-30-15)23(32)31-12-9-20(10-13-31)29-22(18-4-3-11-28-14-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14,20,22,29H,9-10,12-13H2,1-2H3
InChIKeyKRMQURPQWSUWBU-UHFFFAOYSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (CID 56658923) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The InChIKey is KRMQURPQWSUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-15-21(16(2)33-30-15)23(32)31-12-9-20(10-13-31)29-22(18-4-3-11-28-14-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14,20,22,29H,9-10,12-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone has a molecular weight of 458.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56658923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).