[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C12H19N3O2 — CID 120809881

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(C)(CN)C2)o1
InChIInChI=1S/C12H19N3O2/c1-8-10(17-9(2)14-8)11(16)15-5-4-12(3,6-13)7-15/h4-7,13H2,1-3H3
InChIKeyOEQDZOSNGSRHQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.10
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 120809881) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID120809881
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(C)(CN)C2)o1
InChIInChI=1S/C12H19N3O2/c1-8-10(17-9(2)14-8)11(16)15-5-4-12(3,6-13)7-15/h4-7,13H2,1-3H3
InChIKeyOEQDZOSNGSRHQX-UHFFFAOYSA-N
XLogP1.10
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone
CID 120810041
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 120807368
2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one;hydrochloride
CID 120810034
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 120807071
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120808275
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 120808906
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 120803983

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 120809881) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCC(C)(CN)C2)o1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is OEQDZOSNGSRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(17-9(2)14-8)11(16)15-5-4-12(3,6-13)7-15/h4-7,13H2,1-3H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 120809881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).