1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine

C12H21N3O — CID 115082080

IUPAC1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCCN1CCC(c2nc(C(C)NC)co2)C1
InChIInChI=1S/C12H21N3O/c1-4-15-6-5-10(7-15)12-14-11(8-16-12)9(2)13-3/h8-10,13H,4-7H2,1-3H3
InChIKeyGQWZECHYCKQNJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds4

About 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine

1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine (PubChem CID 115082080) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
PubChem CID115082080
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCCN1CCC(c2nc(C(C)NC)co2)C1
InChIInChI=1S/C12H21N3O/c1-4-15-6-5-10(7-15)12-14-11(8-16-12)9(2)13-3/h8-10,13H,4-7H2,1-3H3
InChIKeyGQWZECHYCKQNJR-UHFFFAOYSA-N
XLogP1.76
TPSA41.30 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanol
CID 115082141
2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082192
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082600
1-[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082210
N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082822
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082669
1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115081999
2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115077042
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115077206
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082202
2-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-ol
CID 115082650

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine (CID 115082080) is 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine is CCN1CCC(c2nc(C(C)NC)co2)C1.
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
The InChIKey is GQWZECHYCKQNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15-6-5-10(7-15)12-14-11(8-16-12)9(2)13-3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.76, 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-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115082080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).