3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

C11H8Cl2N2O4 — CID 43516111

IUPAC3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESCc1noc(COc2c(Cl)cc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C11H8Cl2N2O4/c1-5-14-9(19-15-5)4-18-10-7(11(16)17)2-6(12)3-8(10)13/h2-3H,4H2,1H3,(H,16,17)
InChIKeyNPZWMTWDSHRAGS-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.96
Rot. Bonds4

About 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (PubChem CID 43516111) has the molecular formula C11H8Cl2N2O4 and a molecular weight of 303.10 g/mol. Its IUPAC name is 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
PubChem CID43516111
Molecular FormulaC11H8Cl2N2O4
Molecular Weight303.10 g/mol
Exact Mass301.99
IUPAC Name3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESCc1noc(COc2c(Cl)cc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C11H8Cl2N2O4/c1-5-14-9(19-15-5)4-18-10-7(11(16)17)2-6(12)3-8(10)13/h2-3H,4H2,1H3,(H,16,17)
InChIKeyNPZWMTWDSHRAGS-UHFFFAOYSA-N
XLogP2.96
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
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
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
3,5-dichloro-2-(2,2,2-trifluoroethoxymethoxy)benzoic acid
CID 106704997
2-chloro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid
CID 107090502
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone
CID 43415539
N-[[3,5-dichloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 60887514

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (CID 43516111) is 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is Cc1noc(COc2c(Cl)cc(Cl)cc2C(=O)O)n1.
What is the InChIKey of 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The InChIKey is NPZWMTWDSHRAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O4/c1-5-14-9(19-15-5)4-18-10-7(11(16)17)2-6(12)3-8(10)13/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid has a molecular weight of 303.10 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 43516111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).