(9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C18H21N3O4 — CID 131665163

About (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

(9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 131665163) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 131665163
• Molecular Formula: C18H21N3O4
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.15
• IUPAC Name: (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: COc1cc(CCC(=O)N2CC3C[C@H](C2)Cn2c3cccc2=O)on1
• InChI: InChI=1S/C18H21N3O4/c1-24-16-8-14(25-19-16)5-6-17(22)20-9-12-7-13(11-20)15-3-2-4-18(23)21(15)10-12/h2-4,8,12-13H,5-7,9-11H2,1H3/t12-,13?/m1/s1
• InChIKey: AUEXIFRSRQIDGW-PZORYLMUSA-N
• XLogP: 1.42
• TPSA: 77.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 131665163) is (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is COc1cc(CCC(=O)N2CC3C[C@H](C2)Cn2c3cccc2=O)on1.

What is the InChIKey of (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is AUEXIFRSRQIDGW-PZORYLMUSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-16-8-14(25-19-16)5-6-17(22)20-9-12-7-13(11-20)15-3-2-4-18(23)21(15)10-12/h2-4,8,12-13H,5-7,9-11H2,1H3/t12-,13?/m1/s1.

What are the key properties of (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

(9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 343.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (9R)-11-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 131665163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).