4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide

C9H13N3O3 — CID 62902745

IUPAC4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cnoc2)C1
InChIInChI=1S/C9H13N3O3/c1-14-7-2-8(10-4-7)9(13)12-6-3-11-15-5-6/h3,5,7-8,10H,2,4H2,1H3,(H,12,13)
InChIKeyOZSOQAFEGOGXPX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.01
Rot. Bonds3

About 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide

4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 62902745) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID62902745
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cnoc2)C1
InChIInChI=1S/C9H13N3O3/c1-14-7-2-8(10-4-7)9(13)12-6-3-11-15-5-6/h3,5,7-8,10H,2,4H2,1H3,(H,12,13)
InChIKeyOZSOQAFEGOGXPX-UHFFFAOYSA-N
XLogP-0.01
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide (CID 62902745) is 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cnoc2)C1.
What is the InChIKey of 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is OZSOQAFEGOGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-7-2-8(10-4-7)9(13)12-6-3-11-15-5-6/h3,5,7-8,10H,2,4H2,1H3,(H,12,13).
What are the key properties of 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide?
4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62902745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).