5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid

C12H10ClNO5 — CID 104665658

IUPAC5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OCc1ccno1
InChIInChI=1S/C12H10ClNO5/c1-17-10-5-7(13)4-9(12(15)16)11(10)18-6-8-2-3-14-19-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyQBLOPXPHIMLETN-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.61
Rot. Bonds5

About 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid

5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid (PubChem CID 104665658) has the molecular formula C12H10ClNO5 and a molecular weight of 283.67 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
PubChem CID104665658
Molecular FormulaC12H10ClNO5
Molecular Weight283.67 g/mol
Exact Mass283.02
IUPAC Name5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OCc1ccno1
InChIInChI=1S/C12H10ClNO5/c1-17-10-5-7(13)4-9(12(15)16)11(10)18-6-8-2-3-14-19-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyQBLOPXPHIMLETN-UHFFFAOYSA-N
XLogP2.61
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 104665448
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
CID 104665659
5-chloro-3-methoxy-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 104665657
5-chloro-3-methoxy-2-prop-2-ynoxybenzoic acid
CID 19693334
5-chloro-3-methoxy-2-(3-methylbutoxy)benzoic acid
CID 113438800
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
5-chloro-3-methoxy-2-(2-methylbutoxy)benzoic acid
CID 113438799
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
CID 104665725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid?
The IUPAC name of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid (CID 104665658) is 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid.
What is the SMILES notation for 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid?
The canonical SMILES for 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid is COc1cc(Cl)cc(C(=O)O)c1OCc1ccno1.
What is the InChIKey of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid?
The InChIKey is QBLOPXPHIMLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5/c1-17-10-5-7(13)4-9(12(15)16)11(10)18-6-8-2-3-14-19-8/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid?
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid has a molecular weight of 283.67 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid is sourced from PubChem (CID 104665658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).