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

C23H27N3O3 — CID 55760606

IUPAC6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C23H27N3O3/c1-15(2)14-26(11-12-28-3)23(27)18-13-19(16-9-10-16)24-22-20(18)21(25-29-22)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3
InChIKeyGWFMCXKITMMCDZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.51
Rot. Bonds8

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

6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55760606) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55760606
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C23H27N3O3/c1-15(2)14-26(11-12-28-3)23(27)18-13-19(16-9-10-16)24-22-20(18)21(25-29-22)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3
InChIKeyGWFMCXKITMMCDZ-UHFFFAOYSA-N
XLogP4.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55760606) is 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCCN(CC(C)C)C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GWFMCXKITMMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)14-26(11-12-28-3)23(27)18-13-19(16-9-10-16)24-22-20(18)21(25-29-22)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3.
What are the key properties of 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55760606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).