4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid

C13H10BrCl2NO3 — CID 155511645

IUPAC4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)o1
InChIInChI=1S/C13H10BrCl2NO3/c14-13-12(7-4-5-8(15)9(16)6-7)17-10(20-13)2-1-3-11(18)19/h4-6H,1-3H2,(H,18,19)
InChIKeySHZOLIFLYDBSBO-UHFFFAOYSA-N
MW379.04 g/mol
LogP4.82
Rot. Bonds5

About 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid

4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid (PubChem CID 155511645) has the molecular formula C13H10BrCl2NO3 and a molecular weight of 379.04 g/mol. Its IUPAC name is 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid
PubChem CID155511645
Molecular FormulaC13H10BrCl2NO3
Molecular Weight379.04 g/mol
Exact Mass376.92
IUPAC Name4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)o1
InChIInChI=1S/C13H10BrCl2NO3/c14-13-12(7-4-5-8(15)9(16)6-7)17-10(20-13)2-1-3-11(18)19/h4-6H,1-3H2,(H,18,19)
InChIKeySHZOLIFLYDBSBO-UHFFFAOYSA-N
XLogP4.82
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.04
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid (CID 155511645) is 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid is O=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)c(Br)o1.
What is the InChIKey of 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid?
The InChIKey is SHZOLIFLYDBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO3/c14-13-12(7-4-5-8(15)9(16)6-7)17-10(20-13)2-1-3-11(18)19/h4-6H,1-3H2,(H,18,19).
What are the key properties of 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid?
4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid has a molecular weight of 379.04 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]butanoic acid is sourced from PubChem (CID 155511645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).