3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H22N4O3S — CID 72930923

IUPAC3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1CC(=O)N1CCCC1c1nccs1
InChIInChI=1S/C16H22N4O3S/c21-13(20-8-1-2-12(20)14-18-7-9-24-14)10-19-11-16(23-15(19)22)3-5-17-6-4-16/h7,9,12,17H,1-6,8,10-11H2
InChIKeyPLQYIKNYBQLLJL-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.38
Rot. Bonds3

About 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72930923) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72930923
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1CC(=O)N1CCCC1c1nccs1
InChIInChI=1S/C16H22N4O3S/c21-13(20-8-1-2-12(20)14-18-7-9-24-14)10-19-11-16(23-15(19)22)3-5-17-6-4-16/h7,9,12,17H,1-6,8,10-11H2
InChIKeyPLQYIKNYBQLLJL-UHFFFAOYSA-N
XLogP1.38
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72930923) is 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1CC(=O)N1CCCC1c1nccs1.
What is the InChIKey of 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PLQYIKNYBQLLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c21-13(20-8-1-2-12(20)14-18-7-9-24-14)10-19-11-16(23-15(19)22)3-5-17-6-4-16/h7,9,12,17H,1-6,8,10-11H2.
What are the key properties of 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.44 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72930923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).