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

C9H13N3O2 — CID 168660395

IUPAC4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(Cc2cnco2)C1
InChIInChI=1S/C9H13N3O2/c10-2-7-1-9(13)12(4-7)5-8-3-11-6-14-8/h3,6-7H,1-2,4-5,10H2
InChIKeyJOSDEJJUZAIKFD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.02
Rot. Bonds3

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

4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168660395) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
PubChem CID168660395
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(Cc2cnco2)C1
InChIInChI=1S/C9H13N3O2/c10-2-7-1-9(13)12(4-7)5-8-3-11-6-14-8/h3,6-7H,1-2,4-5,10H2
InChIKeyJOSDEJJUZAIKFD-UHFFFAOYSA-N
XLogP-0.02
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one (CID 168660395) is 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one is NCC1CC(=O)N(Cc2cnco2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is JOSDEJJUZAIKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-2-7-1-9(13)12(4-7)5-8-3-11-6-14-8/h3,6-7H,1-2,4-5,10H2.
What are the key properties of 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168660395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).