1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine

C16H27N3O2 — CID 143453685

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine
SMILESC=CCOC(CC)CNC1CCN(c2c(C)noc2C)C1
InChIInChI=1S/C16H27N3O2/c1-5-9-20-15(6-2)10-17-14-7-8-19(11-14)16-12(3)18-21-13(16)4/h5,14-15,17H,1,6-11H2,2-4H3
InChIKeyHZYXZPUNCDTZSO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.44
Rot. Bonds8

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine (PubChem CID 143453685) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine
PubChem CID143453685
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine
SMILESC=CCOC(CC)CNC1CCN(c2c(C)noc2C)C1
InChIInChI=1S/C16H27N3O2/c1-5-9-20-15(6-2)10-17-14-7-8-19(11-14)16-12(3)18-21-13(16)4/h5,14-15,17H,1,6-11H2,2-4H3
InChIKeyHZYXZPUNCDTZSO-UHFFFAOYSA-N
XLogP2.44
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine (CID 143453685) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine is C=CCOC(CC)CNC1CCN(c2c(C)noc2C)C1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine?
The InChIKey is HZYXZPUNCDTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-9-20-15(6-2)10-17-14-7-8-19(11-14)16-12(3)18-21-13(16)4/h5,14-15,17H,1,6-11H2,2-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine has a molecular weight of 293.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)pyrrolidin-3-amine is sourced from PubChem (CID 143453685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).