4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one

C10H10N2O2 — CID 168501856

IUPAC4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(Cc2cnco2)C1
InChIInChI=1S/C10H10N2O2/c1-2-8-3-10(13)12(5-8)6-9-4-11-7-14-9/h1,4,7-8H,3,5-6H2
InChIKeyPNICZCSRARUKRQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.66
Rot. Bonds2

About 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one

4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168501856) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
PubChem CID168501856
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(Cc2cnco2)C1
InChIInChI=1S/C10H10N2O2/c1-2-8-3-10(13)12(5-8)6-9-4-11-7-14-9/h1,4,7-8H,3,5-6H2
InChIKeyPNICZCSRARUKRQ-UHFFFAOYSA-N
XLogP0.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one (CID 168501856) is 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one is C#CC1CC(=O)N(Cc2cnco2)C1.
What is the InChIKey of 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is PNICZCSRARUKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-8-3-10(13)12(5-8)6-9-4-11-7-14-9/h1,4,7-8H,3,5-6H2.
What are the key properties of 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 190.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168501856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).