2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole

C16H15NOS — CID 169260026

IUPAC2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(CCCc2ncc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15NOS/c1-2-6-13(7-3-1)8-4-10-16-17-12-14(18-16)15-9-5-11-19-15/h1-3,5-7,9,11-12H,4,8,10H2
InChIKeyRUGCOKHOSPFNSY-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.58
Rot. Bonds5

About 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole

2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole (PubChem CID 169260026) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole
PubChem CID169260026
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(CCCc2ncc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15NOS/c1-2-6-13(7-3-1)8-4-10-16-17-12-14(18-16)15-9-5-11-19-15/h1-3,5-7,9,11-12H,4,8,10H2
InChIKeyRUGCOKHOSPFNSY-UHFFFAOYSA-N
XLogP4.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole (CID 169260026) is 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole is c1ccc(CCCc2ncc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is RUGCOKHOSPFNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-2-6-13(7-3-1)8-4-10-16-17-12-14(18-16)15-9-5-11-19-15/h1-3,5-7,9,11-12H,4,8,10H2.
What are the key properties of 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole?
2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 269.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 169260026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).