2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid

C9H7NO3S — CID 82126672

IUPAC2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid
SMILESO=C(O)Cc1ocnc1-c1cccs1
InChIInChI=1S/C9H7NO3S/c11-8(12)4-6-9(10-5-13-6)7-2-1-3-14-7/h1-3,5H,4H2,(H,11,12)
InChIKeyMUPAGQALPGUYIS-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.03
Rot. Bonds3

About 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid

2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid (PubChem CID 82126672) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid
PubChem CID82126672
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid
SMILESO=C(O)Cc1ocnc1-c1cccs1
InChIInChI=1S/C9H7NO3S/c11-8(12)4-6-9(10-5-13-6)7-2-1-3-14-7/h1-3,5H,4H2,(H,11,12)
InChIKeyMUPAGQALPGUYIS-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-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid (CID 82126672) is 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid is O=C(O)Cc1ocnc1-c1cccs1.
What is the InChIKey of 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid?
The InChIKey is MUPAGQALPGUYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-8(12)4-6-9(10-5-13-6)7-2-1-3-14-7/h1-3,5H,4H2,(H,11,12).
What are the key properties of 2-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid?
2-(4-thiophen-2-yl-1,3-oxazol-5-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-(4-thiophen-2-yl-1,3-oxazol-5-yl)acetic acid is sourced from PubChem (CID 82126672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).