4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one

C11H12N2O2 — CID 168501702

IUPAC4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCc2cnco2)C1
InChIInChI=1S/C11H12N2O2/c1-2-9-5-11(14)13(7-9)4-3-10-6-12-8-15-10/h1,6,8-9H,3-5,7H2
InChIKeyDJQZXLDJWGTHAK-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.70
Rot. Bonds3

About 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one

4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 168501702) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID168501702
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCc2cnco2)C1
InChIInChI=1S/C11H12N2O2/c1-2-9-5-11(14)13(7-9)4-3-10-6-12-8-15-10/h1,6,8-9H,3-5,7H2
InChIKeyDJQZXLDJWGTHAK-UHFFFAOYSA-N
XLogP0.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(1,3-Oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676532
5-(But-3-yn-2-yl)-1,3-oxazole
CID 57081905
4-amino-N-[2-(1,3-oxazol-5-yl)ethyl]butanamide
CID 123309151
N-ethyl-N-methyl-2-(1,3-oxazol-5-yl)propan-1-amine
CID 144384304
ethane;N-ethyl-N-methyl-2-(1,3-oxazol-5-yl)propan-1-amine
CID 144385617
Tert-butyl 3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate
CID 114693534
1-[2-(1,3-Oxazol-5-yl)ethyl]pyrrolidine-2,4-dione
CID 168494078
4-Bromo-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168497235
4-Ethynyl-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
CID 168501856
4-(Bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168505023
4-(Chloromethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168508345
4-(Azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168657281

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one (CID 168501702) is 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one is C#CC1CC(=O)N(CCc2cnco2)C1.
What is the InChIKey of 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is DJQZXLDJWGTHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-9-5-11(14)13(7-9)4-3-10-6-12-8-15-10/h1,6,8-9H,3-5,7H2.
What are the key properties of 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168501702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).