4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid

C11H8ClNO4 — CID 61223691

IUPAC4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCc1cnoc1
InChIInChI=1S/C11H8ClNO4/c12-8-1-2-9(11(14)15)10(3-8)16-5-7-4-13-17-6-7/h1-4,6H,5H2,(H,14,15)
InChIKeyHFPUIAXIQGYCSA-UHFFFAOYSA-N
MW253.64 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid

4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid (PubChem CID 61223691) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
PubChem CID61223691
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCc1cnoc1
InChIInChI=1S/C11H8ClNO4/c12-8-1-2-9(11(14)15)10(3-8)16-5-7-4-13-17-6-7/h1-4,6H,5H2,(H,14,15)
InChIKeyHFPUIAXIQGYCSA-UHFFFAOYSA-N
XLogP2.61
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,2-oxazol-4-ylmethoxy)-1,3-benzodioxole-5-carboxylic acid
CID 54979334
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 114322638
4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
CID 60673887
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
CID 61223878
4-chloro-2-[(4-nitrophenyl)methoxy]benzoic acid
CID 45418753
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
4-chloro-2-(3-chloroprop-2-enoxy)benzoic acid
CID 60676432
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid (CID 61223691) is 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1OCc1cnoc1.
What is the InChIKey of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid?
The InChIKey is HFPUIAXIQGYCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c12-8-1-2-9(11(14)15)10(3-8)16-5-7-4-13-17-6-7/h1-4,6H,5H2,(H,14,15).
What are the key properties of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid?
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid has a molecular weight of 253.64 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid is sourced from PubChem (CID 61223691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).