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

C12H10ClNO4 — CID 45293842

IUPAC3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
SMILESCc1cc(COc2ccc(C(=O)O)cc2Cl)no1
InChIInChI=1S/C12H10ClNO4/c1-7-4-9(14-18-7)6-17-11-3-2-8(12(15)16)5-10(11)13/h2-5H,6H2,1H3,(H,15,16)
InChIKeyMDZXBRSSWZZZQP-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.91
Rot. Bonds4

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

3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid (PubChem CID 45293842) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
PubChem CID45293842
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
SMILESCc1cc(COc2ccc(C(=O)O)cc2Cl)no1
InChIInChI=1S/C12H10ClNO4/c1-7-4-9(14-18-7)6-17-11-3-2-8(12(15)16)5-10(11)13/h2-5H,6H2,1H3,(H,15,16)
InChIKeyMDZXBRSSWZZZQP-UHFFFAOYSA-N
XLogP2.91
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320749
N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057024
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid
CID 69357116
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368
3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 64773216
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
(5-methyl-1,2-oxazol-3-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8873138
1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid (CID 45293842) is 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid is Cc1cc(COc2ccc(C(=O)O)cc2Cl)no1.
What is the InChIKey of 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid?
The InChIKey is MDZXBRSSWZZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-7-4-9(14-18-7)6-17-11-3-2-8(12(15)16)5-10(11)13/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid?
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid has a molecular weight of 267.67 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid is sourced from PubChem (CID 45293842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).