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

C9H11N5O2 — CID 168657425

IUPAC4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2cnco2)C1
InChIInChI=1S/C9H11N5O2/c10-13-12-2-7-1-9(15)14(4-7)5-8-3-11-6-16-8/h3,6-7H,1-2,4-5H2
InChIKeyLVUULBVCOLCNIQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.33
Rot. Bonds4

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

4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168657425) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
PubChem CID168657425
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2cnco2)C1
InChIInChI=1S/C9H11N5O2/c10-13-12-2-7-1-9(15)14(4-7)5-8-3-11-6-16-8/h3,6-7H,1-2,4-5H2
InChIKeyLVUULBVCOLCNIQ-UHFFFAOYSA-N
XLogP1.33
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one (CID 168657425) is 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(Cc2cnco2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is LVUULBVCOLCNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-13-12-2-7-1-9(15)14(4-7)5-8-3-11-6-16-8/h3,6-7H,1-2,4-5H2.
What are the key properties of 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).