1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine

C12H21N3O — CID 115085767

IUPAC1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCCN1CCCC1c1ncc(CC(C)N)o1
InChIInChI=1S/C12H21N3O/c1-3-15-6-4-5-11(15)12-14-8-10(16-12)7-9(2)13/h8-9,11H,3-7,13H2,1-2H3
InChIKeyDHNVNMZOHXIDAF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine

1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine (PubChem CID 115085767) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine
PubChem CID115085767
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCCN1CCCC1c1ncc(CC(C)N)o1
InChIInChI=1S/C12H21N3O/c1-3-15-6-4-5-11(15)12-14-8-10(16-12)7-9(2)13/h8-9,11H,3-7,13H2,1-2H3
InChIKeyDHNVNMZOHXIDAF-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]methanamine
CID 115085726
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
tert-butyl (2S)-2-[5-(bromomethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 53468363
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115085086
N-butan-2-yl-5-(1-ethylpyrrolidin-2-yl)pyridin-2-amine
CID 102540222
tert-butyl (2S)-2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 53468154
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148513
5-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115077815
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148517
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085018
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115084985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine (CID 115085767) is 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine is CCN1CCCC1c1ncc(CC(C)N)o1.
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
The InChIKey is DHNVNMZOHXIDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-6-4-5-11(15)12-14-8-10(16-12)7-9(2)13/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine is sourced from PubChem (CID 115085767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).