3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid

C12H9Cl2NO4 — CID 43516104

IUPAC3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
SMILESCc1cc(COc2c(Cl)cc(Cl)cc2C(=O)O)on1
InChIInChI=1S/C12H9Cl2NO4/c1-6-2-8(19-15-6)5-18-11-9(12(16)17)3-7(13)4-10(11)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyDAERBILIQYNPAP-UHFFFAOYSA-N
MW302.11 g/mol
LogP3.57
Rot. Bonds4

About 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid

3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid (PubChem CID 43516104) has the molecular formula C12H9Cl2NO4 and a molecular weight of 302.11 g/mol. Its IUPAC name is 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
PubChem CID43516104
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
SMILESCc1cc(COc2c(Cl)cc(Cl)cc2C(=O)O)on1
InChIInChI=1S/C12H9Cl2NO4/c1-6-2-8(19-15-6)5-18-11-9(12(16)17)3-7(13)4-10(11)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyDAERBILIQYNPAP-UHFFFAOYSA-N
XLogP3.57
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901
3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
CID 102881324
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
CID 104665658
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
(2,4,6-trichlorophenyl) 3-methyl-1,2-oxazole-5-carboxylate
CID 55386516

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid (CID 43516104) is 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid is Cc1cc(COc2c(Cl)cc(Cl)cc2C(=O)O)on1.
What is the InChIKey of 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
The InChIKey is DAERBILIQYNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4/c1-6-2-8(19-15-6)5-18-11-9(12(16)17)3-7(13)4-10(11)14/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid has a molecular weight of 302.11 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 43516104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).