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

C23H23N5O2 — CID 71880326

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

6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 71880326) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 71880326
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nc(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)nc2ccccc12
• InChI: InChI=1S/C23H23N5O2/c1-12(2)21-20-16(10-18(14-8-9-14)27-23(20)30-28-21)22(29)24-11-19-25-13(3)15-6-4-5-7-17(15)26-19/h4-7,10,12,14H,8-9,11H2,1-3H3,(H,24,29)
• InChIKey: SAUGDBNRTMCQOS-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 71880326) is 6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nc(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)nc2ccccc12.

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

The InChIKey is SAUGDBNRTMCQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-12(2)21-20-16(10-18(14-8-9-14)27-23(20)30-28-21)22(29)24-11-19-25-13(3)15-6-4-5-7-17(15)26-19/h4-7,10,12,14H,8-9,11H2,1-3H3,(H,24,29).

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

6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.41, 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-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71880326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).