(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C19H22N4O3 — CID 97469573

About (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469573) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 97469573
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3C)no1
• InChI: InChI=1S/C19H22N4O3/c1-13-10-16(21-26-13)18(25)23-8-5-19(6-9-23)11-15(17(24)22(19)2)14-4-3-7-20-12-14/h3-4,7,10,12,15H,5-6,8-9,11H2,1-2H3/t15-/m0/s1
• InChIKey: JVZCDEYUCWMEGA-HNNXBMFYSA-N
• XLogP: 2.00
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469573) is (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3C)no1.

What is the InChIKey of (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is JVZCDEYUCWMEGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-10-16(21-26-13)18(25)23-8-5-19(6-9-23)11-15(17(24)22(19)2)14-4-3-7-20-12-14/h3-4,7,10,12,15H,5-6,8-9,11H2,1-2H3/t15-/m0/s1.

What are the key properties of (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?

(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).