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

C9H6BrNO3S — CID 82134893

IUPAC2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1ocnc1-c1ccc(Br)s1
InChIInChI=1S/C9H6BrNO3S/c10-7-2-1-6(15-7)9-5(3-8(12)13)14-4-11-9/h1-2,4H,3H2,(H,12,13)
InChIKeyIDZHMZSUTAWHSG-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.79
Rot. Bonds3

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

2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 82134893) has the molecular formula C9H6BrNO3S and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid
PubChem CID82134893
Molecular FormulaC9H6BrNO3S
Molecular Weight288.12 g/mol
Exact Mass286.93
IUPAC Name2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1ocnc1-c1ccc(Br)s1
InChIInChI=1S/C9H6BrNO3S/c10-7-2-1-6(15-7)9-5(3-8(12)13)14-4-11-9/h1-2,4H,3H2,(H,12,13)
InChIKeyIDZHMZSUTAWHSG-UHFFFAOYSA-N
XLogP2.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid (CID 82134893) is 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid is O=C(O)Cc1ocnc1-c1ccc(Br)s1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is IDZHMZSUTAWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO3S/c10-7-2-1-6(15-7)9-5(3-8(12)13)14-4-11-9/h1-2,4H,3H2,(H,12,13).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid?
2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 288.12 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82134893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).