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

C9H13N3O2 — CID 106373170

IUPAC3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
SMILESCc1cnc(CN2CCC(N)C2=O)o1
InChIInChI=1S/C9H13N3O2/c1-6-4-11-8(14-6)5-12-3-2-7(10)9(12)13/h4,7H,2-3,5,10H2,1H3
InChIKeyKEWJSLHMPYVPRU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.04
Rot. Bonds2

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

3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 106373170) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID106373170
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
SMILESCc1cnc(CN2CCC(N)C2=O)o1
InChIInChI=1S/C9H13N3O2/c1-6-4-11-8(14-6)5-12-3-2-7(10)9(12)13/h4,7H,2-3,5,10H2,1H3
InChIKeyKEWJSLHMPYVPRU-UHFFFAOYSA-N
XLogP0.04
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
CID 106376506
3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 114180954
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 63296054
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
CID 91651949
(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 124505781
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 119921868
(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 95354948
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one (CID 106373170) is 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one is Cc1cnc(CN2CCC(N)C2=O)o1.
What is the InChIKey of 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is KEWJSLHMPYVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-4-11-8(14-6)5-12-3-2-7(10)9(12)13/h4,7H,2-3,5,10H2,1H3.
What are the key properties of 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one?
3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 106373170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).