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

C11H9Cl2NO3 — CID 44634450

IUPAC2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid
SMILESO=C(O)CC1CON=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO3/c12-8-2-1-6(3-9(8)13)11-7(4-10(15)16)5-17-14-11/h1-3,7H,4-5H2,(H,15,16)
InChIKeyJUWLIQWWDGCIRH-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.82
Rot. Bonds3

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

2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid (PubChem CID 44634450) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid
PubChem CID44634450
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid
SMILESO=C(O)CC1CON=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO3/c12-8-2-1-6(3-9(8)13)11-7(4-10(15)16)5-17-14-11/h1-3,7H,4-5H2,(H,15,16)
InChIKeyJUWLIQWWDGCIRH-UHFFFAOYSA-N
XLogP2.82
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid (CID 44634450) is 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid is O=C(O)CC1CON=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid?
The InChIKey is JUWLIQWWDGCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c12-8-2-1-6(3-9(8)13)11-7(4-10(15)16)5-17-14-11/h1-3,7H,4-5H2,(H,15,16).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid?
2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid has a molecular weight of 274.10 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]acetic acid is sourced from PubChem (CID 44634450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).