2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H23N5O2 — CID 135944053

About 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944053) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135944053
• Molecular Formula: C24H23N5O2
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.19
• IUPAC Name: 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1onc(-c2ccccc2)c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1
• InChI: InChI=1S/C24H23N5O2/c1-15-19(22(28-31-15)16-5-3-2-4-6-16)13-29-12-11-21-20(14-29)24(30)27-23(26-21)17-7-9-18(25)10-8-17/h2-10H,11-14,25H2,1H3,(H,26,27,30)
• InChIKey: AECFBVZQLFNSHK-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 101.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944053) is 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1onc(-c2ccccc2)c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1.

What is the InChIKey of 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is AECFBVZQLFNSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-19(22(28-31-15)16-5-3-2-4-6-16)13-29-12-11-21-20(14-29)24(30)27-23(26-21)17-7-9-18(25)10-8-17/h2-10H,11-14,25H2,1H3,(H,26,27,30).

What are the key properties of 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 413.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).