5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid

C12H10ClNO4 — CID 61397623

IUPAC5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccccc2Cl)on1
InChIInChI=1S/C12H10ClNO4/c13-10-4-2-1-3-8(10)6-17-7-9-5-11(12(15)16)14-18-9/h1-5H,6-7H2,(H,15,16)
InChIKeyZKKQDMZUISUDCU-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.74
Rot. Bonds5

About 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid

5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397623) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397623
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccccc2Cl)on1
InChIInChI=1S/C12H10ClNO4/c13-10-4-2-1-3-8(10)6-17-7-9-5-11(12(15)16)14-18-9/h1-5H,6-7H2,(H,15,16)
InChIKeyZKKQDMZUISUDCU-UHFFFAOYSA-N
XLogP2.74
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55072783
5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 90326056
5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325816
5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 107711662
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397549
5-[(2-aminophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397383
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (CID 61397623) is 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCc2ccccc2Cl)on1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZKKQDMZUISUDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c13-10-4-2-1-3-8(10)6-17-7-9-5-11(12(15)16)14-18-9/h1-5H,6-7H2,(H,15,16).
What are the key properties of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).