(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone

C18H17F3N4O2S — CID 110235714

IUPAC(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)c2c(C3CCCN(C(=O)c4scnc4C)C3)noc2n1
InChIInChI=1S/C18H17F3N4O2S/c1-9-6-12(18(19,20)21)13-14(24-27-16(13)23-9)11-4-3-5-25(7-11)17(26)15-10(2)22-8-28-15/h6,8,11H,3-5,7H2,1-2H3
InChIKeyLILVNJQSVIAXMP-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.33
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 110235714) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID110235714
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)c2c(C3CCCN(C(=O)c4scnc4C)C3)noc2n1
InChIInChI=1S/C18H17F3N4O2S/c1-9-6-12(18(19,20)21)13-14(24-27-16(13)23-9)11-4-3-5-25(7-11)17(26)15-10(2)22-8-28-15/h6,8,11H,3-5,7H2,1-2H3
InChIKeyLILVNJQSVIAXMP-UHFFFAOYSA-N
XLogP4.33
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92601063
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
[4-(methoxymethyl)phenyl]-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92601201
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588087
3-(4-methoxyphenyl)-1-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92601102
[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethanone
CID 110235733
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
6-methyl-3-[(3R)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92601282
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92553909
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
(1-methylpyrazol-4-yl)-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92580861
(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235790

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 110235714) is (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone is Cc1cc(C(F)(F)F)c2c(C3CCCN(C(=O)c4scnc4C)C3)noc2n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is LILVNJQSVIAXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-9-6-12(18(19,20)21)13-14(24-27-16(13)23-9)11-4-3-5-25(7-11)17(26)15-10(2)22-8-28-15/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 410.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110235714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).