3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine

C13H23N3O — CID 115082404

IUPAC3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCCN1CCC(Cc2nc(CCCN)co2)C1
InChIInChI=1S/C13H23N3O/c1-2-16-7-5-11(9-16)8-13-15-12(10-17-13)4-3-6-14/h10-11H,2-9,14H2,1H3
InChIKeyUBEOSEKQKVARNS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds6

About 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine

3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115082404) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115082404
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCCN1CCC(Cc2nc(CCCN)co2)C1
InChIInChI=1S/C13H23N3O/c1-2-16-7-5-11(9-16)8-13-15-12(10-17-13)4-3-6-14/h10-11H,2-9,14H2,1H3
InChIKeyUBEOSEKQKVARNS-UHFFFAOYSA-N
XLogP1.45
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine (CID 115082404) is 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine is CCN1CCC(Cc2nc(CCCN)co2)C1.
What is the InChIKey of 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is UBEOSEKQKVARNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-7-5-11(9-16)8-13-15-12(10-17-13)4-3-6-14/h10-11H,2-9,14H2,1H3.
What are the key properties of 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115082404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).