N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine

C16H23N3OS — CID 60806481

IUPACN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESCCCN(Cc1coc(-c2cccs2)n1)C1CCNCC1
InChIInChI=1S/C16H23N3OS/c1-2-9-19(14-5-7-17-8-6-14)11-13-12-20-16(18-13)15-4-3-10-21-15/h3-4,10,12,14,17H,2,5-9,11H2,1H3
InChIKeyQGOIIMNWVYGHKD-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.37
Rot. Bonds6

About N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine

N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (PubChem CID 60806481) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
PubChem CID60806481
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESCCCN(Cc1coc(-c2cccs2)n1)C1CCNCC1
InChIInChI=1S/C16H23N3OS/c1-2-9-19(14-5-7-17-8-6-14)11-13-12-20-16(18-13)15-4-3-10-21-15/h3-4,10,12,14,17H,2,5-9,11H2,1H3
InChIKeyQGOIIMNWVYGHKD-UHFFFAOYSA-N
XLogP3.37
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]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 N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (CID 60806481) is N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is CCCN(Cc1coc(-c2cccs2)n1)C1CCNCC1.
What is the InChIKey of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is QGOIIMNWVYGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-9-19(14-5-7-17-8-6-14)11-13-12-20-16(18-13)15-4-3-10-21-15/h3-4,10,12,14,17H,2,5-9,11H2,1H3.
What are the key properties of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 60806481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).