3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine

C15H19ClN2OS — CID 141063355

IUPAC3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(CCC2=CCCCC2)O1
InChIInChI=1S/C15H19ClN2OS/c16-14-7-6-13(20-14)12-10-15(17)19-18(12)9-8-11-4-2-1-3-5-11/h4,6-7,10,12H,1-3,5,8-9,17H2
InChIKeyFRGHVIZLFHOQPP-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.38
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine (PubChem CID 141063355) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
PubChem CID141063355
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(CCC2=CCCCC2)O1
InChIInChI=1S/C15H19ClN2OS/c16-14-7-6-13(20-14)12-10-15(17)19-18(12)9-8-11-4-2-1-3-5-11/h4,6-7,10,12H,1-3,5,8-9,17H2
InChIKeyFRGHVIZLFHOQPP-UHFFFAOYSA-N
XLogP4.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-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

Related Compounds

3-(5-chlorothiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063492
3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453578
3-(5-chlorothiophen-2-yl)-2-[(3-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453584
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91449845
3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
CID 91570787
3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
CID 141063238
3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
CID 141063255
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
CID 141063259
2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063262
2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063275

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine (CID 141063355) is 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Cl)s2)N(CCC2=CCCCC2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine?
The InChIKey is FRGHVIZLFHOQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c16-14-7-6-13(20-14)12-10-15(17)19-18(12)9-8-11-4-2-1-3-5-11/h4,6-7,10,12H,1-3,5,8-9,17H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine has a molecular weight of 310.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).