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

C16H15FN2OS — CID 43158266

IUPAC4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
SMILESNc1onc(CCCc2cccs2)c1-c1cccc(F)c1
InChIInChI=1S/C16H15FN2OS/c17-12-5-1-4-11(10-12)15-14(19-20-16(15)18)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10H,2,6,8,18H2
InChIKeySBQJVDFIGYIICS-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.30
Rot. Bonds5

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

4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine (PubChem CID 43158266) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
PubChem CID43158266
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
SMILESNc1onc(CCCc2cccs2)c1-c1cccc(F)c1
InChIInChI=1S/C16H15FN2OS/c17-12-5-1-4-11(10-12)15-14(19-20-16(15)18)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10H,2,6,8,18H2
InChIKeySBQJVDFIGYIICS-UHFFFAOYSA-N
XLogP4.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine (CID 43158266) is 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine is Nc1onc(CCCc2cccs2)c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The InChIKey is SBQJVDFIGYIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-12-5-1-4-11(10-12)15-14(19-20-16(15)18)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10H,2,6,8,18H2.
What are the key properties of 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine has a molecular weight of 302.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).