7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H23N5O3 — CID 134079624

About 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 134079624) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 134079624
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1noc(C)c1CN1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
• InChI: InChI=1S/C19H23N5O3/c1-13-16(14(2)26-22-13)11-24-7-5-19(12-24)8-17(23-27-19)18(25)21-10-15-4-3-6-20-9-15/h3-4,6,9H,5,7-8,10-12H2,1-2H3,(H,21,25)
• InChIKey: MZTPKBGUADUKSH-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 92.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 134079624) is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1noc(C)c1CN1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1.

What is the InChIKey of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is MZTPKBGUADUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-16(14(2)26-22-13)11-24-7-5-19(12-24)8-17(23-27-19)18(25)21-10-15-4-3-6-20-9-15/h3-4,6,9H,5,7-8,10-12H2,1-2H3,(H,21,25).

What are the key properties of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 134079624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).