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

C26H23N3O2 — CID 166393903

IUPAC6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C26H23N3O2/c30-25(28-23(19-13-14-19)17-7-3-1-4-8-17)20-15-21(16-11-12-16)27-26-22(20)24(29-31-26)18-9-5-2-6-10-18/h1-10,15-16,19,23H,11-14H2,(H,28,30)
InChIKeyBZKUERZOPGZTQO-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.65
Rot. Bonds6

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

6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166393903) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166393903
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C26H23N3O2/c30-25(28-23(19-13-14-19)17-7-3-1-4-8-17)20-15-21(16-11-12-16)27-26-22(20)24(29-31-26)18-9-5-2-6-10-18/h1-10,15-16,19,23H,11-14H2,(H,28,30)
InChIKeyBZKUERZOPGZTQO-UHFFFAOYSA-N
XLogP5.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166393903) is 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NC(c1ccccc1)C1CC1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BZKUERZOPGZTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(28-23(19-13-14-19)17-7-3-1-4-8-17)20-15-21(16-11-12-16)27-26-22(20)24(29-31-26)18-9-5-2-6-10-18/h1-10,15-16,19,23H,11-14H2,(H,28,30).
What are the key properties of 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166393903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).