5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

C11H7ClFNO4 — CID 46738434

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C11H7ClFNO4/c12-8-3-6(13)1-2-10(8)17-5-7-4-9(11(15)16)14-18-7/h1-4H,5H2,(H,15,16)
InChIKeyPNWGYKGMPRXCRR-UHFFFAOYSA-N
MW271.63 g/mol
LogP2.74
Rot. Bonds4

About 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 46738434) has the molecular formula C11H7ClFNO4 and a molecular weight of 271.63 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID46738434
Molecular FormulaC11H7ClFNO4
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C11H7ClFNO4/c12-8-3-6(13)1-2-10(8)17-5-7-4-9(11(15)16)14-18-7/h1-4H,5H2,(H,15,16)
InChIKeyPNWGYKGMPRXCRR-UHFFFAOYSA-N
XLogP2.74
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397549
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 25369632
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 51600569
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24817549
N-(1,3-benzoxazol-2-ylmethyl)-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42156624
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid (CID 46738434) is 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2ccc(F)cc2Cl)on1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is PNWGYKGMPRXCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4/c12-8-3-6(13)1-2-10(8)17-5-7-4-9(11(15)16)14-18-7/h1-4H,5H2,(H,15,16).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.63 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 46738434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).