3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid

C11H10BrNO3 — CID 67119498

IUPAC3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid
SMILESCC1(c2ccc(Br)cc2)NOC=C1C(=O)O
InChIInChI=1S/C11H10BrNO3/c1-11(7-2-4-8(12)5-3-7)9(10(14)15)6-16-13-11/h2-6,13H,1H3,(H,14,15)
InChIKeyGGUKYZGYMQRQQI-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.17
Rot. Bonds2

About 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid

3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid (PubChem CID 67119498) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid
PubChem CID67119498
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid
SMILESCC1(c2ccc(Br)cc2)NOC=C1C(=O)O
InChIInChI=1S/C11H10BrNO3/c1-11(7-2-4-8(12)5-3-7)9(10(14)15)6-16-13-11/h2-6,13H,1H3,(H,14,15)
InChIKeyGGUKYZGYMQRQQI-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid (CID 67119498) is 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid is CC1(c2ccc(Br)cc2)NOC=C1C(=O)O.
What is the InChIKey of 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid?
The InChIKey is GGUKYZGYMQRQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-11(7-2-4-8(12)5-3-7)9(10(14)15)6-16-13-11/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid?
3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-methyl-2H-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 67119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).