N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide

C23H26N2O5 — CID 171911753

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide (PubChem CID 171911753) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
• PubChem CID: 171911753
• Molecular Formula: C23H26N2O5
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
• SMILES: Cc1noc(C)c1CN(C)C(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3
• InChI: InChI=1S/C23H26N2O5/c1-13-20(14(2)30-24-13)12-25(4)22(26)15(3)28-16-9-10-18-17-7-5-6-8-19(17)23(27)29-21(18)11-16/h9-11,15H,5-8,12H2,1-4H3
• InChIKey: BDKJPUYTDNWHAF-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 85.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?

The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide (CID 171911753) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide.

What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?

The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide is Cc1noc(C)c1CN(C)C(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3.

What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?

The InChIKey is BDKJPUYTDNWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-13-20(14(2)30-24-13)12-25(4)22(26)15(3)28-16-9-10-18-17-7-5-6-8-19(17)23(27)29-21(18)11-16/h9-11,15H,5-8,12H2,1-4H3.

What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide?

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide has a molecular weight of 410.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide is sourced from PubChem (CID 171911753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).