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

C21H18N4O2S — CID 55719194

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

6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55719194) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55719194
• Molecular Formula: C21H18N4O2S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.12
• IUPAC Name: 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1csc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)n1
• InChI: InChI=1S/C21H18N4O2S/c1-12-11-28-17(23-12)10-22-20(26)15-9-16(13-7-8-13)24-21-18(15)19(25-27-21)14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,22,26)
• InChIKey: AWMBKISJXWVXQV-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55719194) is 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1csc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)n1.

What is the InChIKey of 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is AWMBKISJXWVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12-11-28-17(23-12)10-22-20(26)15-9-16(13-7-8-13)24-21-18(15)19(25-27-21)14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10H2,1H3,(H,22,26).

What are the key properties of 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55719194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).