6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C14H15F3N4O2 — CID 118740475

IUPAC6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)c2c(C3CCCN3)noc2n1
InChIInChI=1S/C14H15F3N4O2/c1-7-5-8(12(22)19-6-14(15,16)17)10-11(9-3-2-4-18-9)21-23-13(10)20-7/h5,9,18H,2-4,6H2,1H3,(H,19,22)
InChIKeyWZTRSRAACXBUMF-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.25
Rot. Bonds3

About 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 118740475) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID118740475
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)c2c(C3CCCN3)noc2n1
InChIInChI=1S/C14H15F3N4O2/c1-7-5-8(12(22)19-6-14(15,16)17)10-11(9-3-2-4-18-9)21-23-13(10)20-7/h5,9,18H,2-4,6H2,1H3,(H,19,22)
InChIKeyWZTRSRAACXBUMF-UHFFFAOYSA-N
XLogP2.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 118740475) is 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC(F)(F)F)c2c(C3CCCN3)noc2n1.
What is the InChIKey of 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WZTRSRAACXBUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-7-5-8(12(22)19-6-14(15,16)17)10-11(9-3-2-4-18-9)21-23-13(10)20-7/h5,9,18H,2-4,6H2,1H3,(H,19,22).
What are the key properties of 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 118740475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).