3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H24N4O4 — CID 72844562

About 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72844562) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 72844562
• Molecular Formula: C17H24N4O4
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.18
• IUPAC Name: 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: Cc1cc(C2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)on1
• InChI: InChI=1S/C17H24N4O4/c1-12-9-14(25-19-12)13-3-2-8-21(13)15(22)10-20-11-17(24-16(20)23)4-6-18-7-5-17/h9,13,18H,2-8,10-11H2,1H3
• InChIKey: KICVJGAHIBFJGY-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72844562) is 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(C2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)on1.

What is the InChIKey of 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is KICVJGAHIBFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-9-14(25-19-12)13-3-2-8-21(13)15(22)10-20-11-17(24-16(20)23)4-6-18-7-5-17/h9,13,18H,2-8,10-11H2,1H3.

What are the key properties of 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72844562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).