2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid

C18H14BrNO3 — CID 91213898

IUPAC2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ncc(-c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO3/c19-14-8-6-12(7-9-14)15(18(21)22)10-17-20-11-16(23-17)13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,21,22)
InChIKeyBDEBQKKRXZPYMO-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.51
Rot. Bonds5

About 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid

2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 91213898) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID91213898
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Name2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ncc(-c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO3/c19-14-8-6-12(7-9-14)15(18(21)22)10-17-20-11-16(23-17)13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,21,22)
InChIKeyBDEBQKKRXZPYMO-UHFFFAOYSA-N
XLogP4.51
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-3-pyrimidin-2-ylpropanoic acid
CID 79440396
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
CID 9467187
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971823
benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 72648141
(4-bromo-2-chlorophenyl) 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 16591931
3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoyl fluoride
CID 162401622
(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
CID 61142516
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)propanoic acid
CID 104631530
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid (CID 91213898) is 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid is O=C(O)C(Cc1ncc(-c2ccccc2)o1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is BDEBQKKRXZPYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c19-14-8-6-12(7-9-14)15(18(21)22)10-17-20-11-16(23-17)13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid?
2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 372.22 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 91213898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).