5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid

C13H13NO4 — CID 82086418

IUPAC5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid
SMILESCc1ccccc1OCCc1ocnc1C(=O)O
InChIInChI=1S/C13H13NO4/c1-9-4-2-3-5-10(9)17-7-6-11-12(13(15)16)14-8-18-11/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyCSKPFZDHZOEFDU-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.30
Rot. Bonds5

About 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid

5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 82086418) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid
PubChem CID82086418
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid
SMILESCc1ccccc1OCCc1ocnc1C(=O)O
InChIInChI=1S/C13H13NO4/c1-9-4-2-3-5-10(9)17-7-6-11-12(13(15)16)14-8-18-11/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyCSKPFZDHZOEFDU-UHFFFAOYSA-N
XLogP2.30
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076
7-(2-methylphenoxy)heptanoic acid
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4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
1-[2-(2-methylphenoxy)ethyl]-5-propyltriazole-4-carboxylic acid
CID 62055242
6-chloro-2-[2-(2-methylphenoxy)ethyl]pyrimidine-4-carboxylic acid
CID 82168842
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
3-[2-(2-methylphenoxy)ethyl]-4-oxophthalazine-1-carboxylic acid
CID 2079781
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
2,2-dimethyl-4-(2-methylphenoxy)butanoic acid
CID 65248196
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid (CID 82086418) is 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid is Cc1ccccc1OCCc1ocnc1C(=O)O.
What is the InChIKey of 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is CSKPFZDHZOEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9-4-2-3-5-10(9)17-7-6-11-12(13(15)16)14-8-18-11/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid?
5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82086418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).