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

C11H13NOS — CID 138969870

IUPAC2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole
SMILESCC(C)Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C11H13NOS/c1-8(2)6-11-12-7-9(13-11)10-4-3-5-14-10/h3-5,7-8H,6H2,1-2H3
InChIKeyIYTSUAILKKECBU-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.60
Rot. Bonds3

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

2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole (PubChem CID 138969870) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole
PubChem CID138969870
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole
SMILESCC(C)Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C11H13NOS/c1-8(2)6-11-12-7-9(13-11)10-4-3-5-14-10/h3-5,7-8H,6H2,1-2H3
InChIKeyIYTSUAILKKECBU-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole (CID 138969870) is 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole is CC(C)Cc1ncc(-c2cccs2)o1.
What is the InChIKey of 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is IYTSUAILKKECBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8(2)6-11-12-7-9(13-11)10-4-3-5-14-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole?
2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 207.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 138969870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).