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

C10H13N5O2 — CID 168657281

IUPAC4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2cnco2)C1
InChIInChI=1S/C10H13N5O2/c11-14-13-4-8-3-10(16)15(6-8)2-1-9-5-12-7-17-9/h5,7-8H,1-4,6H2
InChIKeySRLNPMVQFWTNMD-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.38
Rot. Bonds5

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

4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 168657281) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID168657281
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2cnco2)C1
InChIInChI=1S/C10H13N5O2/c11-14-13-4-8-3-10(16)15(6-8)2-1-9-5-12-7-17-9/h5,7-8H,1-4,6H2
InChIKeySRLNPMVQFWTNMD-UHFFFAOYSA-N
XLogP1.38
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one (CID 168657281) is 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CCc2cnco2)C1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is SRLNPMVQFWTNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-14-13-4-8-3-10(16)15(6-8)2-1-9-5-12-7-17-9/h5,7-8H,1-4,6H2.
What are the key properties of 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 235.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168657281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).