2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine

C12H21N3O — CID 51619087

IUPAC2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine
SMILESCCc1noc(C)c1[C@@H]1CCCN1CCN
InChIInChI=1S/C12H21N3O/c1-3-10-12(9(2)16-14-10)11-5-4-7-15(11)8-6-13/h11H,3-8,13H2,1-2H3/t11-/m0/s1
InChIKeyKRNAMEUECSAYOV-NSHDSACASA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds4

About 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine

2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 51619087) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine
PubChem CID51619087
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine
SMILESCCc1noc(C)c1[C@@H]1CCCN1CCN
InChIInChI=1S/C12H21N3O/c1-3-10-12(9(2)16-14-10)11-5-4-7-15(11)8-6-13/h11H,3-8,13H2,1-2H3/t11-/m0/s1
InChIKeyKRNAMEUECSAYOV-NSHDSACASA-N
XLogP1.64
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid
CID 42576536
2-[(2R)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine
CID 51619177
2-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanamine
CID 51619083
2-[(2S)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]ethanamine
CID 51619115
4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95216226
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119909283
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
CID 129486505
4-[(2S)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732091

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine (CID 51619087) is 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine is CCc1noc(C)c1[C@@H]1CCCN1CCN.
What is the InChIKey of 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is KRNAMEUECSAYOV-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10-12(9(2)16-14-10)11-5-4-7-15(11)8-6-13/h11H,3-8,13H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine?
2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 51619087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).