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

C16H24N2OS — CID 90930757

IUPAC2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2=CC(N)ON2C2CCCCCC2)s1
InChIInChI=1S/C16H24N2OS/c1-2-13-9-10-15(20-13)14-11-16(17)19-18(14)12-7-5-3-4-6-8-12/h9-12,16H,2-8,17H2,1H3
InChIKeyXQYVPKCYNAYJDE-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.91
Rot. Bonds3

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

2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 90930757) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID90930757
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2=CC(N)ON2C2CCCCCC2)s1
InChIInChI=1S/C16H24N2OS/c1-2-13-9-10-15(20-13)14-11-16(17)19-18(14)12-7-5-3-4-6-8-12/h9-12,16H,2-8,17H2,1H3
InChIKeyXQYVPKCYNAYJDE-UHFFFAOYSA-N
XLogP3.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-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

Related Compounds

2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
2-tert-butyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90735249
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90792290
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
2-cyclopentyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90821453
2-cycloheptyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90956020
2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90981074
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91123984
2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91160388
2-cyclopentyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91236224

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 90930757) is 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine is CCc1ccc(C2=CC(N)ON2C2CCCCCC2)s1.
What is the InChIKey of 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is XQYVPKCYNAYJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-13-9-10-15(20-13)14-11-16(17)19-18(14)12-7-5-3-4-6-8-12/h9-12,16H,2-8,17H2,1H3.
What are the key properties of 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 292.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 90930757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).