3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 46924798) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	46924798
Molecular Formula	C23H19N3O4
Molecular Weight	401.42 g/mol
Exact Mass	401.14
IUPAC Name	3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	Cc1cc(N2CC34C=CC(O3)C(C(=O)Nc3cccc5ccccc35)C4C2=O)no1
InChI	InChI=1S/C23H19N3O4/c1-13-11-18(25-30-13)26-12-23-10-9-17(29-23)19(20(23)22(26)28)21(27)24-16-8-4-6-14-5-2-3-7-15(14)16/h2-11,17,19-20H,12H2,1H3,(H,24,27)
InChIKey	AXKDXJQYOWITQX-UHFFFAOYSA-N
XLogP	3.06
TPSA	84.67 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 46924798) is 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is Cc1cc(N2CC34C=CC(O3)C(C(=O)Nc3cccc5ccccc35)C4C2=O)no1.

What is the InChIKey of 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is AXKDXJQYOWITQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-13-11-18(25-30-13)26-12-23-10-9-17(29-23)19(20(23)22(26)28)21(27)24-16-8-4-6-14-5-2-3-7-15(14)16/h2-11,17,19-20H,12H2,1H3,(H,24,27).

What are the key properties of 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,2-oxazol-3-yl)-N-naphthalen-1-yl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 46924798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).