4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid

C13H12ClNO4 — CID 16771438

IUPAC4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
SMILESCc1noc(C)c1COc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H12ClNO4/c1-7-11(8(2)19-15-7)6-18-12-5-9(14)3-4-10(12)13(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyVPBIZBZFMUOJNN-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.22
Rot. Bonds4

About 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid

4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid (PubChem CID 16771438) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
PubChem CID16771438
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
SMILESCc1noc(C)c1COc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H12ClNO4/c1-7-11(8(2)19-15-7)6-18-12-5-9(14)3-4-10(12)13(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyVPBIZBZFMUOJNN-UHFFFAOYSA-N
XLogP3.22
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-hydroxybenzoic acid
CID 10264729
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-iodobenzoic acid
CID 114103458
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338533
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4841213
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
3-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 61391170

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid (CID 16771438) is 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is Cc1noc(C)c1COc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The InChIKey is VPBIZBZFMUOJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-7-11(8(2)19-15-7)6-18-12-5-9(14)3-4-10(12)13(16)17/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid has a molecular weight of 281.69 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 16771438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).