1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine

C13H23N3O — CID 79242016

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C(C)c2c(C)noc2C)C1
InChIInChI=1S/C13H23N3O/c1-5-14-12-6-7-16(8-12)10(3)13-9(2)15-17-11(13)4/h10,12,14H,5-8H2,1-4H3
InChIKeyXOHJIUSUUJPYEK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.04
Rot. Bonds4

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine (PubChem CID 79242016) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
PubChem CID79242016
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C(C)c2c(C)noc2C)C1
InChIInChI=1S/C13H23N3O/c1-5-14-12-6-7-16(8-12)10(3)13-9(2)15-17-11(13)4/h10,12,14H,5-8H2,1-4H3
InChIKeyXOHJIUSUUJPYEK-UHFFFAOYSA-N
XLogP2.04
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine (CID 79242016) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine is CCNC1CCN(C(C)c2c(C)noc2C)C1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is XOHJIUSUUJPYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-12-6-7-16(8-12)10(3)13-9(2)15-17-11(13)4/h10,12,14H,5-8H2,1-4H3.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 79242016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).