5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid

C12H10ClNO4 — CID 82092376

IUPAC5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCOc2cccc(Cl)c2)on1
InChIInChI=1S/C12H10ClNO4/c13-8-2-1-3-9(6-8)17-5-4-10-7-11(12(15)16)14-18-10/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyHASDGKVSZYUNRO-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.65
Rot. Bonds5

About 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid

5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 82092376) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID82092376
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCOc2cccc(Cl)c2)on1
InChIInChI=1S/C12H10ClNO4/c13-8-2-1-3-9(6-8)17-5-4-10-7-11(12(15)16)14-18-10/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyHASDGKVSZYUNRO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
CID 131885829
CID 131885829
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303
5-[(3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 70512473
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propanamide
CID 23512799
4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
CID 66437353
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid (CID 82092376) is 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CCOc2cccc(Cl)c2)on1.
What is the InChIKey of 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HASDGKVSZYUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c13-8-2-1-3-9(6-8)17-5-4-10-7-11(12(15)16)14-18-10/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid?
5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82092376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).