2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid

C9H7NO3S — CID 22326476

IUPAC2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccon2)s1
InChIInChI=1S/C9H7NO3S/c11-9(12)5-6-1-2-8(14-6)7-3-4-13-10-7/h1-4H,5H2,(H,11,12)
InChIKeyLWFXNCGPMRUBED-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.03
Rot. Bonds3

About 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid

2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid (PubChem CID 22326476) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid
PubChem CID22326476
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccon2)s1
InChIInChI=1S/C9H7NO3S/c11-9(12)5-6-1-2-8(14-6)7-3-4-13-10-7/h1-4H,5H2,(H,11,12)
InChIKeyLWFXNCGPMRUBED-UHFFFAOYSA-N
XLogP2.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid (CID 22326476) is 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccon2)s1.
What is the InChIKey of 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid?
The InChIKey is LWFXNCGPMRUBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-9(12)5-6-1-2-8(14-6)7-3-4-13-10-7/h1-4H,5H2,(H,11,12).
What are the key properties of 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid?
2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid has a molecular weight of 209.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 22326476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).