5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid

C13H11Cl2NO3 — CID 90326373

IUPAC5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCCc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C13H11Cl2NO3/c14-10-5-4-8(6-11(10)15)2-1-3-9-7-12(13(17)18)16-19-9/h4-7H,1-3H2,(H,17,18)
InChIKeyQOPGITAAYSQODC-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.85
Rot. Bonds5

About 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid

5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 90326373) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid
PubChem CID90326373
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCCc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C13H11Cl2NO3/c14-10-5-4-8(6-11(10)15)2-1-3-9-7-12(13(17)18)16-19-9/h4-7H,1-3H2,(H,17,18)
InChIKeyQOPGITAAYSQODC-UHFFFAOYSA-N
XLogP3.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromopropyl)-1,2-oxazole-3-carboxylic acid
CID 90326182
5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 146150203
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
4-(3,4-dichlorophenyl)butanamide
CID 47319689
5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397549
5-[(4-chlorophenyl)sulfinylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397915
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
CID 82092376
(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate
CID 142446435
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid (CID 90326373) is 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CCCc2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is QOPGITAAYSQODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c14-10-5-4-8(6-11(10)15)2-1-3-9-7-12(13(17)18)16-19-9/h4-7H,1-3H2,(H,17,18).
What are the key properties of 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid?
5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 300.14 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90326373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).