N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine

C16H24N2OS — CID 65184537

IUPACN-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCCc1ccc(-c2cnc(CCCNCC(C)C)o2)s1
InChIInChI=1S/C16H24N2OS/c1-4-13-7-8-15(20-13)14-11-18-16(19-14)6-5-9-17-10-12(2)3/h7-8,11-12,17H,4-6,9-10H2,1-3H3
InChIKeyJHVHJYVITKMRDJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.14
Rot. Bonds8

About N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine

N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (PubChem CID 65184537) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
PubChem CID65184537
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCCc1ccc(-c2cnc(CCCNCC(C)C)o2)s1
InChIInChI=1S/C16H24N2OS/c1-4-13-7-8-15(20-13)14-11-18-16(19-14)6-5-9-17-10-12(2)3/h7-8,11-12,17H,4-6,9-10H2,1-3H3
InChIKeyJHVHJYVITKMRDJ-UHFFFAOYSA-N
XLogP4.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-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-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (CID 65184537) is N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is CCc1ccc(-c2cnc(CCCNCC(C)C)o2)s1.
What is the InChIKey of N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is JHVHJYVITKMRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-13-7-8-15(20-13)14-11-18-16(19-14)6-5-9-17-10-12(2)3/h7-8,11-12,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).