3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine

C18H30ClN3OS — CID 141063259

IUPAC3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
SMILESCCCCN(CCCC)CCCN1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C18H30ClN3OS/c1-3-5-10-21(11-6-4-2)12-7-13-22-15(14-18(20)23-22)16-8-9-17(19)24-16/h8-9,14-15H,3-7,10-13,20H2,1-2H3
InChIKeyWJDZCSHVEHRIMU-UHFFFAOYSA-N
MW371.98 g/mol
LogP4.78
Rot. Bonds11

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

3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine (PubChem CID 141063259) has the molecular formula C18H30ClN3OS and a molecular weight of 371.98 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
PubChem CID141063259
Molecular FormulaC18H30ClN3OS
Molecular Weight371.98 g/mol
Exact Mass371.18
IUPAC Name3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
SMILESCCCCN(CCCC)CCCN1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C18H30ClN3OS/c1-3-5-10-21(11-6-4-2)12-7-13-22-15(14-18(20)23-22)16-8-9-17(19)24-16/h8-9,14-15H,3-7,10-13,20H2,1-2H3
InChIKeyWJDZCSHVEHRIMU-UHFFFAOYSA-N
XLogP4.78
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.98
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-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-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
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
2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063262
3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine
CID 141063289
2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063323
3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
CID 141063355
3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
CID 141063362
3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
CID 141063388
3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063425

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine (CID 141063259) is 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine is CCCCN(CCCC)CCCN1OC(N)=CC1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine?
The InChIKey is WJDZCSHVEHRIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN3OS/c1-3-5-10-21(11-6-4-2)12-7-13-22-15(14-18(20)23-22)16-8-9-17(19)24-16/h8-9,14-15H,3-7,10-13,20H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine has a molecular weight of 371.98 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).