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

C12H10BrNO3 — CID 82219974

IUPAC2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
SMILESCc1oc(-c2ccccc2Br)nc1CC(=O)O
InChIInChI=1S/C12H10BrNO3/c1-7-10(6-11(15)16)14-12(17-7)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,15,16)
InChIKeyKMRMGENXFNDLEL-UHFFFAOYSA-N
MW296.12 g/mol
LogP3.04
Rot. Bonds3

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

2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid (PubChem CID 82219974) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
PubChem CID82219974
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
SMILESCc1oc(-c2ccccc2Br)nc1CC(=O)O
InChIInChI=1S/C12H10BrNO3/c1-7-10(6-11(15)16)14-12(17-7)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,15,16)
InChIKeyKMRMGENXFNDLEL-UHFFFAOYSA-N
XLogP3.04
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
CID 53403506
1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 29016179
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
CID 170752586
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
methyl 2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate;2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 158705132
N-(2-bromophenyl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371988
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
1-(3,5-dimethylmorpholin-4-yl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110631177
2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 82219979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid (CID 82219974) is 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid is Cc1oc(-c2ccccc2Br)nc1CC(=O)O.
What is the InChIKey of 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is KMRMGENXFNDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-7-10(6-11(15)16)14-12(17-7)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 296.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82219974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).