[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

C29H22N2O6 — CID 24527058

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (PubChem CID 24527058) has the molecular formula C29H22N2O6 and a molecular weight of 494.50 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

• Compound Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
• PubChem CID: 24527058
• Molecular Formula: C29H22N2O6
• Molecular Weight: 494.50 g/mol
• Exact Mass: 494.15
• IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
• SMILES: Cc1cc(NC(=O)C(OC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c2ccccc2)no1
• InChI: InChI=1S/C29H22N2O6/c1-17-16-23(31-37-17)30-28(33)26(20-12-7-4-8-13-20)36-29(34)22-15-9-14-21-24(32)18(2)25(35-27(21)22)19-10-5-3-6-11-19/h3-16,26H,1-2H3,(H,30,31,33)
• InChIKey: RMSZZGHRXFILHM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 111.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.50
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (CID 24527058) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is Cc1cc(NC(=O)C(OC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c2ccccc2)no1.

What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

The InChIKey is RMSZZGHRXFILHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O6/c1-17-16-23(31-37-17)30-28(33)26(20-12-7-4-8-13-20)36-29(34)22-15-9-14-21-24(32)18(2)25(35-27(21)22)19-10-5-3-6-11-19/h3-16,26H,1-2H3,(H,30,31,33).

What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate has a molecular weight of 494.50 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is sourced from PubChem (CID 24527058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).