3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine

C17H28N2OS — CID 141063447

IUPAC3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(C)CCCC(C)C)s1
InChIInChI=1S/C17H28N2OS/c1-5-14-9-10-16(21-14)15-11-17(18)20-19(15)13(4)8-6-7-12(2)3/h9-13,15H,5-8,18H2,1-4H3
InChIKeyXSBKRGVKDMNCHL-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.61
Rot. Bonds7

About 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063447) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063447
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(C)CCCC(C)C)s1
InChIInChI=1S/C17H28N2OS/c1-5-14-9-10-16(21-14)15-11-17(18)20-19(15)13(4)8-6-7-12(2)3/h9-13,15H,5-8,18H2,1-4H3
InChIKeyXSBKRGVKDMNCHL-UHFFFAOYSA-N
XLogP4.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-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 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063447) is 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2C(C)CCCC(C)C)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is XSBKRGVKDMNCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-14-9-10-16(21-14)15-11-17(18)20-19(15)13(4)8-6-7-12(2)3/h9-13,15H,5-8,18H2,1-4H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 308.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).