[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone

C18H23N5O3 — CID 131655883

About [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone

[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 131655883) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
• PubChem CID: 131655883
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
• SMILES: COCC1CC2(CCN(C(=O)c3cocn3)CC2)CN1c1ncccn1
• InChI: InChI=1S/C18H23N5O3/c1-25-10-14-9-18(12-23(14)17-19-5-2-6-20-17)3-7-22(8-4-18)16(24)15-11-26-13-21-15/h2,5-6,11,13-14H,3-4,7-10,12H2,1H3
• InChIKey: XQVYHLRKUHZUMJ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?

The IUPAC name of [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone (CID 131655883) is [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?

The canonical SMILES for [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone is COCC1CC2(CCN(C(=O)c3cocn3)CC2)CN1c1ncccn1.

What is the InChIKey of [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?

The InChIKey is XQVYHLRKUHZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-25-10-14-9-18(12-23(14)17-19-5-2-6-20-17)3-7-22(8-4-18)16(24)15-11-26-13-21-15/h2,5-6,11,13-14H,3-4,7-10,12H2,1H3.

What are the key properties of [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone?

[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 131655883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).