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

C17H18F3N3O2 — CID 110235689

IUPACcyclopropyl-[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)C4CC4)C3)noc2n1
InChIInChI=1S/C17H18F3N3O2/c1-9-7-12(17(18,19)20)13-14(22-25-15(13)21-9)11-3-2-6-23(8-11)16(24)10-4-5-10/h7,10-11H,2-6,8H2,1H3
InChIKeyYUOKFIQXOBNDGY-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.67
Rot. Bonds2

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

cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 110235689) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID110235689
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Namecyclopropyl-[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)C4CC4)C3)noc2n1
InChIInChI=1S/C17H18F3N3O2/c1-9-7-12(17(18,19)20)13-14(22-25-15(13)21-9)11-3-2-6-23(8-11)16(24)10-4-5-10/h7,10-11H,2-6,8H2,1H3
InChIKeyYUOKFIQXOBNDGY-UHFFFAOYSA-N
XLogP3.67
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 110235689) is cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[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)C4CC4)C3)noc2n1.
What is the InChIKey of cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is YUOKFIQXOBNDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-9-7-12(17(18,19)20)13-14(22-25-15(13)21-9)11-3-2-6-23(8-11)16(24)10-4-5-10/h7,10-11H,2-6,8H2,1H3.
What are the key properties of cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 353.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110235689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).