2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate

C10H10NO3S- — CID 7222082

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate
SMILESCC1(C)COC(c2sccc2C(=O)[O-])=N1
InChIInChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)/p-1
InChIKeyWQUWXRARBSLVDK-UHFFFAOYSA-M
MW224.26 g/mol
LogP0.67
Rot. Bonds2

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate (PubChem CID 7222082) has the molecular formula C10H10NO3S- and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate
PubChem CID7222082
Molecular FormulaC10H10NO3S-
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate
SMILESCC1(C)COC(c2sccc2C(=O)[O-])=N1
InChIInChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)/p-1
InChIKeyWQUWXRARBSLVDK-UHFFFAOYSA-M
XLogP0.67
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate (CID 7222082) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate is CC1(C)COC(c2sccc2C(=O)[O-])=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate?
The InChIKey is WQUWXRARBSLVDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO3S/c1-10(2)5-14-8(11-10)7-6(9(12)13)3-4-15-7/h3-4H,5H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 7222082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).