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

C11H10BrNO3 — CID 115062223

IUPAC2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)CC1=NC(c2ccccc2Br)CO1
InChIInChI=1S/C11H10BrNO3/c12-8-4-2-1-3-7(8)9-6-16-10(13-9)5-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyGAMJUCILSCOAOQ-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.39
Rot. Bonds3

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

2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (PubChem CID 115062223) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
PubChem CID115062223
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)CC1=NC(c2ccccc2Br)CO1
InChIInChI=1S/C11H10BrNO3/c12-8-4-2-1-3-7(8)9-6-16-10(13-9)5-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyGAMJUCILSCOAOQ-UHFFFAOYSA-N
XLogP2.39
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84698426
2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115061186
2-[4-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115062239
2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
CID 84654084
2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
CID 115061194
2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115062245
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
CID 10262496
2-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)acetic acid
CID 115061146
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
(2S,3S)-3-(2-bromophenyl)oxirane-2-carboxylic acid
CID 95212315
(2S)-2-(2-bromophenyl)oxirane
CID 30071402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (CID 115062223) is 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is O=C(O)CC1=NC(c2ccccc2Br)CO1.
What is the InChIKey of 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The InChIKey is GAMJUCILSCOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-8-4-2-1-3-7(8)9-6-16-10(13-9)5-11(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid has a molecular weight of 284.11 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 115062223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).