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

C17H29N3O2 — CID 143453636

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine
SMILESC=CCOC(CC)CNC1CCN(c2c(C)noc2C)CC1
InChIInChI=1S/C17H29N3O2/c1-5-11-21-16(6-2)12-18-15-7-9-20(10-8-15)17-13(3)19-22-14(17)4/h5,15-16,18H,1,6-12H2,2-4H3
InChIKeyAFHRERBMNTWMHD-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.83
Rot. Bonds8

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine (PubChem CID 143453636) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine
PubChem CID143453636
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine
SMILESC=CCOC(CC)CNC1CCN(c2c(C)noc2C)CC1
InChIInChI=1S/C17H29N3O2/c1-5-11-21-16(6-2)12-18-15-7-9-20(10-8-15)17-13(3)19-22-14(17)4/h5,15-16,18H,1,6-12H2,2-4H3
InChIKeyAFHRERBMNTWMHD-UHFFFAOYSA-N
XLogP2.83
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.83
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)piperidin-4-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)piperidin-4-amine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine (CID 143453636) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine is C=CCOC(CC)CNC1CCN(c2c(C)noc2C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine?
The InChIKey is AFHRERBMNTWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-11-21-16(6-2)12-18-15-7-9-20(10-8-15)17-13(3)19-22-14(17)4/h5,15-16,18H,1,6-12H2,2-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-prop-2-enoxybutyl)piperidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 2.83, 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)piperidin-4-amine is sourced from PubChem (CID 143453636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).