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

C22H23F3N4O2S — CID 56662422

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cncs2)CC1
InChIInChI=1S/C22H23F3N4O2S/c1-13-19(14(2)31-28-13)21(30)29-9-7-17(8-10-29)27-20(18-11-26-12-32-18)15-3-5-16(6-4-15)22(23,24)25/h3-6,11-12,17,20,27H,7-10H2,1-2H3
InChIKeyNOBFSFXLIQGTIP-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.75
Rot. Bonds5

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (PubChem CID 56662422) has the molecular formula C22H23F3N4O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
PubChem CID56662422
Molecular FormulaC22H23F3N4O2S
Molecular Weight464.51 g/mol
Exact Mass464.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cncs2)CC1
InChIInChI=1S/C22H23F3N4O2S/c1-13-19(14(2)31-28-13)21(30)29-9-7-17(8-10-29)27-20(18-11-26-12-32-18)15-3-5-16(6-4-15)22(23,24)25/h3-6,11-12,17,20,27H,7-10H2,1-2H3
InChIKeyNOBFSFXLIQGTIP-UHFFFAOYSA-N
XLogP4.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (CID 56662422) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-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-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cncs2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The InChIKey is NOBFSFXLIQGTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2S/c1-13-19(14(2)31-28-13)21(30)29-9-7-17(8-10-29)27-20(18-11-26-12-32-18)15-3-5-16(6-4-15)22(23,24)25/h3-6,11-12,17,20,27H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone has a molecular weight of 464.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56662422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).