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

C17H22N4O3 — CID 118740573

IUPAC6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C2CC2)nc2onc(C3CCNC3)c12
InChIInChI=1S/C17H22N4O3/c1-23-7-6-19-16(22)12-8-13(10-2-3-10)20-17-14(12)15(21-24-17)11-4-5-18-9-11/h8,10-11,18H,2-7,9H2,1H3,(H,19,22)
InChIKeyQVNNUSJVFZQLAV-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.55
Rot. Bonds6

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

6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 118740573) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID118740573
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C2CC2)nc2onc(C3CCNC3)c12
InChIInChI=1S/C17H22N4O3/c1-23-7-6-19-16(22)12-8-13(10-2-3-10)20-17-14(12)15(21-24-17)11-4-5-18-9-11/h8,10-11,18H,2-7,9H2,1H3,(H,19,22)
InChIKeyQVNNUSJVFZQLAV-UHFFFAOYSA-N
XLogP1.55
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 118740573) is 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCCNC(=O)c1cc(C2CC2)nc2onc(C3CCNC3)c12.
What is the InChIKey of 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QVNNUSJVFZQLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-7-6-19-16(22)12-8-13(10-2-3-10)20-17-14(12)15(21-24-17)11-4-5-18-9-11/h8,10-11,18H,2-7,9H2,1H3,(H,19,22).
What are the key properties of 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 118740573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).