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

C16H23N3OS — CID 63637158

IUPACN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
SMILESCCCN(Cc1coc(-c2cccs2)n1)C1CCCNC1
InChIInChI=1S/C16H23N3OS/c1-2-8-19(14-5-3-7-17-10-14)11-13-12-20-16(18-13)15-6-4-9-21-15/h4,6,9,12,14,17H,2-3,5,7-8,10-11H2,1H3
InChIKeyZZZGCDHMVZNQFA-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-3-amine

N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine (PubChem CID 63637158) 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-3-amine.

Molecular Properties

Compound NameN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
PubChem CID63637158
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-3-amine
SMILESCCCN(Cc1coc(-c2cccs2)n1)C1CCCNC1
InChIInChI=1S/C16H23N3OS/c1-2-8-19(14-5-3-7-17-10-14)11-13-12-20-16(18-13)15-6-4-9-21-15/h4,6,9,12,14,17H,2-3,5,7-8,10-11H2,1H3
InChIKeyZZZGCDHMVZNQFA-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-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 N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine (CID 63637158) is N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine is CCCN(Cc1coc(-c2cccs2)n1)C1CCCNC1.
What is the InChIKey of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is ZZZGCDHMVZNQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-8-19(14-5-3-7-17-10-14)11-13-12-20-16(18-13)15-6-4-9-21-15/h4,6,9,12,14,17H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-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-3-amine is sourced from PubChem (CID 63637158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).