3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid

C10H8ClNO3S — CID 82132427

IUPAC3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1ocnc1-c1ccc(Cl)s1
InChIInChI=1S/C10H8ClNO3S/c11-8-3-2-7(16-8)10-6(15-5-12-10)1-4-9(13)14/h2-3,5H,1,4H2,(H,13,14)
InChIKeyJSXALYCZXHGAKA-UHFFFAOYSA-N
MW257.70 g/mol
LogP3.07
Rot. Bonds4

About 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid

3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 82132427) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid
PubChem CID82132427
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1ocnc1-c1ccc(Cl)s1
InChIInChI=1S/C10H8ClNO3S/c11-8-3-2-7(16-8)10-6(15-5-12-10)1-4-9(13)14/h2-3,5H,1,4H2,(H,13,14)
InChIKeyJSXALYCZXHGAKA-UHFFFAOYSA-N
XLogP3.07
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid (CID 82132427) is 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid is O=C(O)CCc1ocnc1-c1ccc(Cl)s1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is JSXALYCZXHGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c11-8-3-2-7(16-8)10-6(15-5-12-10)1-4-9(13)14/h2-3,5H,1,4H2,(H,13,14).
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid?
3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 257.70 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 82132427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).