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

C14H10ClNO3S2 — CID 59385100

IUPAC2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)c(-c3ccc(Cl)s3)o2)s1
InChIInChI=1S/C14H10ClNO3S2/c1-7-2-3-10(20-7)14-16-8(6-12(17)18)13(19-14)9-4-5-11(15)21-9/h2-5H,6H2,1H3,(H,17,18)
InChIKeyLTPOJQIFVAEVCG-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.72
Rot. Bonds4

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

2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 59385100) has the molecular formula C14H10ClNO3S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
PubChem CID59385100
Molecular FormulaC14H10ClNO3S2
Molecular Weight339.83 g/mol
Exact Mass338.98
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)c(-c3ccc(Cl)s3)o2)s1
InChIInChI=1S/C14H10ClNO3S2/c1-7-2-3-10(20-7)14-16-8(6-12(17)18)13(19-14)9-4-5-11(15)21-9/h2-5H,6H2,1H3,(H,17,18)
InChIKeyLTPOJQIFVAEVCG-UHFFFAOYSA-N
XLogP4.72
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid (CID 59385100) is 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid is Cc1ccc(-c2nc(CC(=O)O)c(-c3ccc(Cl)s3)o2)s1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is LTPOJQIFVAEVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S2/c1-7-2-3-10(20-7)14-16-8(6-12(17)18)13(19-14)9-4-5-11(15)21-9/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid?
2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 339.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 59385100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).