3,4-dichlorobenzoic acid;1,3-oxazole

C10H7Cl2NO3 — CID 161153948

IUPAC3,4-dichlorobenzoic acid;1,3-oxazole
SMILESO=C(O)c1ccc(Cl)c(Cl)c1.c1cocn1
InChIInChI=1S/C7H4Cl2O2.C3H3NO/c8-5-2-1-4(7(10)11)3-6(5)9;1-2-5-3-4-1/h1-3H,(H,10,11);1-3H
InChIKeyUPAZGDLNQPOWMI-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.37
Rot. Bonds1

About 3,4-dichlorobenzoic acid;1,3-oxazole

3,4-dichlorobenzoic acid;1,3-oxazole (PubChem CID 161153948) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 3,4-dichlorobenzoic acid;1,3-oxazole.

Molecular Properties

Compound Name3,4-dichlorobenzoic acid;1,3-oxazole
PubChem CID161153948
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name3,4-dichlorobenzoic acid;1,3-oxazole
SMILESO=C(O)c1ccc(Cl)c(Cl)c1.c1cocn1
InChIInChI=1S/C7H4Cl2O2.C3H3NO/c8-5-2-1-4(7(10)11)3-6(5)9;1-2-5-3-4-1/h1-3H,(H,10,11);1-3H
InChIKeyUPAZGDLNQPOWMI-UHFFFAOYSA-N
XLogP3.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-iodobenzoic acid
CID 18953341
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
3-(3,4-dichlorophenyl)benzotriazole-5-carboxylic acid
CID 82784404
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
4-chloro-3-fluorobenzoic acid
CID 2736536
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
hydroxysilane;1,3-oxazole
CID 173237055
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139

Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorobenzoic acid;1,3-oxazole?
The IUPAC name of 3,4-dichlorobenzoic acid;1,3-oxazole (CID 161153948) is 3,4-dichlorobenzoic acid;1,3-oxazole.
What is the SMILES notation for 3,4-dichlorobenzoic acid;1,3-oxazole?
The canonical SMILES for 3,4-dichlorobenzoic acid;1,3-oxazole is O=C(O)c1ccc(Cl)c(Cl)c1.c1cocn1.
What is the InChIKey of 3,4-dichlorobenzoic acid;1,3-oxazole?
The InChIKey is UPAZGDLNQPOWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2.C3H3NO/c8-5-2-1-4(7(10)11)3-6(5)9;1-2-5-3-4-1/h1-3H,(H,10,11);1-3H.
What are the key properties of 3,4-dichlorobenzoic acid;1,3-oxazole?
3,4-dichlorobenzoic acid;1,3-oxazole has a molecular weight of 260.08 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorobenzoic acid;1,3-oxazole is sourced from PubChem (CID 161153948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).