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

C16H17F3N4O2 — CID 134790392

IUPAC6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(C2CC2)nc2onc(C3CCNC3)c12
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)7-21-14(24)10-5-11(8-1-2-8)22-15-12(10)13(23-25-15)9-3-4-20-6-9/h5,8-9,20H,1-4,6-7H2,(H,21,24)
InChIKeyRLQFJKRZQYGISS-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.47
Rot. Bonds4

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

6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134790392) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134790392
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(C2CC2)nc2onc(C3CCNC3)c12
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)7-21-14(24)10-5-11(8-1-2-8)22-15-12(10)13(23-25-15)9-3-4-20-6-9/h5,8-9,20H,1-4,6-7H2,(H,21,24)
InChIKeyRLQFJKRZQYGISS-UHFFFAOYSA-N
XLogP2.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134790392) is 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NCC(F)(F)F)c1cc(C2CC2)nc2onc(C3CCNC3)c12.
What is the InChIKey of 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RLQFJKRZQYGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)7-21-14(24)10-5-11(8-1-2-8)22-15-12(10)13(23-25-15)9-3-4-20-6-9/h5,8-9,20H,1-4,6-7H2,(H,21,24).
What are the key properties of 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134790392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).