2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole

C9H11NOS — CID 166814094

IUPAC2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole
SMILESCC1=C(c2ncco2)SC(C)C1
InChIInChI=1S/C9H11NOS/c1-6-5-7(2)12-8(6)9-10-3-4-11-9/h3-4,7H,5H2,1-2H3
InChIKeyPBSQSVZUTDQKST-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.93
Rot. Bonds1

About 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole

2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole (PubChem CID 166814094) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole
PubChem CID166814094
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole
SMILESCC1=C(c2ncco2)SC(C)C1
InChIInChI=1S/C9H11NOS/c1-6-5-7(2)12-8(6)9-10-3-4-11-9/h3-4,7H,5H2,1-2H3
InChIKeyPBSQSVZUTDQKST-UHFFFAOYSA-N
XLogP2.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole (CID 166814094) is 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole is CC1=C(c2ncco2)SC(C)C1.
What is the InChIKey of 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole?
The InChIKey is PBSQSVZUTDQKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6-5-7(2)12-8(6)9-10-3-4-11-9/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole?
2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole has a molecular weight of 181.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-2,3-dihydrothiophen-5-yl)-1,3-oxazole is sourced from PubChem (CID 166814094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).