1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one

C9H13N3O2 — CID 79501211

IUPAC1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
SMILESCN1CCC(NCc2ccon2)C1=O
InChIInChI=1S/C9H13N3O2/c1-12-4-2-8(9(12)13)10-6-7-3-5-14-11-7/h3,5,8,10H,2,4,6H2,1H3
InChIKeyRPFTVXZSCURLEH-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.01
Rot. Bonds3

About 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one

1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 79501211) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
PubChem CID79501211
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
SMILESCN1CCC(NCc2ccon2)C1=O
InChIInChI=1S/C9H13N3O2/c1-12-4-2-8(9(12)13)10-6-7-3-5-14-11-7/h3,5,8,10H,2,4,6H2,1H3
InChIKeyRPFTVXZSCURLEH-UHFFFAOYSA-N
XLogP-0.01
TPSA58.37 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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one (CID 79501211) is 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one is CN1CCC(NCc2ccon2)C1=O.
What is the InChIKey of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is RPFTVXZSCURLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-4-2-8(9(12)13)10-6-7-3-5-14-11-7/h3,5,8,10H,2,4,6H2,1H3.
What are the key properties of 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one?
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 79501211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).