4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine

C13H9ClN2OS — CID 66200502

IUPAC4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccsc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c14-10-3-1-2-8(6-10)11-12(17-16-13(11)15)9-4-5-18-7-9/h1-7H,(H2,15,16)
InChIKeyKIVIJIAWDDQUAV-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.31
Rot. Bonds2

About 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine

4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine (PubChem CID 66200502) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
PubChem CID66200502
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccsc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c14-10-3-1-2-8(6-10)11-12(17-16-13(11)15)9-4-5-18-7-9/h1-7H,(H2,15,16)
InChIKeyKIVIJIAWDDQUAV-UHFFFAOYSA-N
XLogP4.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine (CID 66200502) is 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccsc2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
The InChIKey is KIVIJIAWDDQUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-10-3-1-2-8(6-10)11-12(17-16-13(11)15)9-4-5-18-7-9/h1-7H,(H2,15,16).
What are the key properties of 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine has a molecular weight of 276.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).