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

C12H19N3O3 — CID 113285347

IUPAC5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one
SMILESCNCC1CCCN1CC(=O)n1oc(C)cc1=O
InChIInChI=1S/C12H19N3O3/c1-9-6-11(16)15(18-9)12(17)8-14-5-3-4-10(14)7-13-2/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyNONNKEDNTXLVPD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.07
Rot. Bonds4

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

5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one (PubChem CID 113285347) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one
PubChem CID113285347
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one
SMILESCNCC1CCCN1CC(=O)n1oc(C)cc1=O
InChIInChI=1S/C12H19N3O3/c1-9-6-11(16)15(18-9)12(17)8-14-5-3-4-10(14)7-13-2/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyNONNKEDNTXLVPD-UHFFFAOYSA-N
XLogP0.07
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one
CID 55167972
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119928312
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-methyl-1-[1-(2-phenylprop-2-enyl)pyrrolidin-2-yl]methanamine
CID 115328538
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one?
The IUPAC name of 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one (CID 113285347) is 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one is CNCC1CCCN1CC(=O)n1oc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one?
The InChIKey is NONNKEDNTXLVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-6-11(16)15(18-9)12(17)8-14-5-3-4-10(14)7-13-2/h6,10,13H,3-5,7-8H2,1-2H3.
What are the key properties of 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one?
5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one is sourced from PubChem (CID 113285347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).