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;hydrochloride

C17H25ClN4O4 — CID 154899697

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;hydrochloride

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;hydrochloride (PubChem CID 154899697) has the molecular formula C17H25ClN4O4 and a molecular weight of 384.86 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;hydrochloride.

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;hydrochloride
• PubChem CID: 154899697
• Molecular Formula: C17H25ClN4O4
• Molecular Weight: 384.86 g/mol
• Exact Mass: 384.16
• 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;hydrochloride
• SMILES: Cc1cc(C2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)on1.Cl
• InChI: InChI=1S/C17H24N4O4.ClH/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;1H
• InChIKey: LVNPOEFOYZTPSQ-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.86
LogP ≤ 5	1.64
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;hydrochloride?

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;hydrochloride (CID 154899697) 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;hydrochloride.

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;hydrochloride?

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;hydrochloride is Cc1cc(C2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)on1.Cl.

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;hydrochloride?

The InChIKey is LVNPOEFOYZTPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4.ClH/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;1H.

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;hydrochloride?

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;hydrochloride has a molecular weight of 384.86 g/mol, XLogP of 1.64, 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;hydrochloride is sourced from PubChem (CID 154899697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).