3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine

C17H17ClN2OS — CID 141063255

IUPAC3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(C2CCCc3ccccc32)O1
InChIInChI=1S/C17H17ClN2OS/c18-16-9-8-15(22-16)14-10-17(19)21-20(14)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-10,13-14H,3,5,7,19H2
InChIKeySKSFRBWHHLJMOT-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.57
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063255) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063255
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(C2CCCc3ccccc32)O1
InChIInChI=1S/C17H17ClN2OS/c18-16-9-8-15(22-16)14-10-17(19)21-20(14)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-10,13-14H,3,5,7,19H2
InChIKeySKSFRBWHHLJMOT-UHFFFAOYSA-N
XLogP4.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-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-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine (CID 141063255) is 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Cl)s2)N(C2CCCc3ccccc32)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is SKSFRBWHHLJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c18-16-9-8-15(22-16)14-10-17(19)21-20(14)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-10,13-14H,3,5,7,19H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 332.86 g/mol, XLogP of 4.57, 2 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-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).