5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one

C10H15N3O2 — CID 107529325

IUPAC5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCc1cc(CNCC2CCC(=O)N2)on1
InChIInChI=1S/C10H15N3O2/c1-7-4-9(15-13-7)6-11-5-8-2-3-10(14)12-8/h4,8,11H,2-3,5-6H2,1H3,(H,12,14)
InChIKeyGNGJUBHERWJEBL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.35
Rot. Bonds4

About 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one

5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 107529325) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
PubChem CID107529325
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCc1cc(CNCC2CCC(=O)N2)on1
InChIInChI=1S/C10H15N3O2/c1-7-4-9(15-13-7)6-11-5-8-2-3-10(14)12-8/h4,8,11H,2-3,5-6H2,1H3,(H,12,14)
InChIKeyGNGJUBHERWJEBL-UHFFFAOYSA-N
XLogP0.35
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one (CID 107529325) is 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one is Cc1cc(CNCC2CCC(=O)N2)on1.
What is the InChIKey of 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is GNGJUBHERWJEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-4-9(15-13-7)6-11-5-8-2-3-10(14)12-8/h4,8,11H,2-3,5-6H2,1H3,(H,12,14).
What are the key properties of 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one?
5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).