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

C16H15ClN2OS — CID 66205392

IUPAC4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCCc2cccs2)c1-c1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c17-13-8-2-1-7-12(13)15-14(20-19-16(15)18)9-3-5-11-6-4-10-21-11/h1-2,4,6-8,10H,3,5,9H2,(H2,18,19)
InChIKeyJVVSSSJHNXMLDA-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.81
Rot. Bonds5

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

4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine (PubChem CID 66205392) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
PubChem CID66205392
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCCc2cccs2)c1-c1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c17-13-8-2-1-7-12(13)15-14(20-19-16(15)18)9-3-5-11-6-4-10-21-11/h1-2,4,6-8,10H,3,5,9H2,(H2,18,19)
InChIKeyJVVSSSJHNXMLDA-UHFFFAOYSA-N
XLogP4.81
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine (CID 66205392) is 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine is Nc1noc(CCCc2cccs2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
The InChIKey is JVVSSSJHNXMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-13-8-2-1-7-12(13)15-14(20-19-16(15)18)9-3-5-11-6-4-10-21-11/h1-2,4,6-8,10H,3,5,9H2,(H2,18,19).
What are the key properties of 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine?
4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine has a molecular weight of 318.83 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66205392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).