3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole

C11H13NOS — CID 130460933

IUPAC3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCc1ccc(-c2cc(C(C)C)on2)s1
InChIInChI=1S/C11H13NOS/c1-7(2)10-6-9(12-13-10)11-5-4-8(3)14-11/h4-7H,1-3H3
InChIKeyOSQMJSGPCCABNU-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.83
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole

3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole (PubChem CID 130460933) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole
PubChem CID130460933
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCc1ccc(-c2cc(C(C)C)on2)s1
InChIInChI=1S/C11H13NOS/c1-7(2)10-6-9(12-13-10)11-5-4-8(3)14-11/h4-7H,1-3H3
InChIKeyOSQMJSGPCCABNU-UHFFFAOYSA-N
XLogP3.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole (CID 130460933) is 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole is Cc1ccc(-c2cc(C(C)C)on2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole?
The InChIKey is OSQMJSGPCCABNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7(2)10-6-9(12-13-10)11-5-4-8(3)14-11/h4-7H,1-3H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole?
3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole has a molecular weight of 207.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 130460933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).