2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid

C13H12ClNO5 — CID 106500538

IUPAC2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid
SMILESCOCc1cc(COc2ccc(Cl)c(C(=O)O)c2)no1
InChIInChI=1S/C13H12ClNO5/c1-18-7-10-4-8(15-20-10)6-19-9-2-3-12(14)11(5-9)13(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyTUVASKBNYGWHPJ-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.75
Rot. Bonds6

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

2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid (PubChem CID 106500538) has the molecular formula C13H12ClNO5 and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid
PubChem CID106500538
Molecular FormulaC13H12ClNO5
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid
SMILESCOCc1cc(COc2ccc(Cl)c(C(=O)O)c2)no1
InChIInChI=1S/C13H12ClNO5/c1-18-7-10-4-8(15-20-10)6-19-9-2-3-12(14)11(5-9)13(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyTUVASKBNYGWHPJ-UHFFFAOYSA-N
XLogP2.75
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
CID 80643447
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684852
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]ethanamine
CID 79800694
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157222
2-chloro-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzaldehyde
CID 66156027
(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 79027120
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid (CID 106500538) is 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid is COCc1cc(COc2ccc(Cl)c(C(=O)O)c2)no1.
What is the InChIKey of 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid?
The InChIKey is TUVASKBNYGWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO5/c1-18-7-10-4-8(15-20-10)6-19-9-2-3-12(14)11(5-9)13(16)17/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid?
2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid has a molecular weight of 297.69 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid is sourced from PubChem (CID 106500538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).