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

C14H14N2O5 — CID 107369462

IUPAC3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(OCCNC(=O)c2cc(C(=O)O)on2)c1
InChIInChI=1S/C14H14N2O5/c1-9-3-2-4-10(7-9)20-6-5-15-13(17)11-8-12(14(18)19)21-16-11/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyZBOCDGBSCJHAFC-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.49
Rot. Bonds6

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

3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369462) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369462
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(OCCNC(=O)c2cc(C(=O)O)on2)c1
InChIInChI=1S/C14H14N2O5/c1-9-3-2-4-10(7-9)20-6-5-15-13(17)11-8-12(14(18)19)21-16-11/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyZBOCDGBSCJHAFC-UHFFFAOYSA-N
XLogP1.49
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
CID 103186858
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18115644
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
N-[2-(3-methylphenoxy)ethyl]isoquinoline-4-carboxamide
CID 166186678

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369462) is 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid is Cc1cccc(OCCNC(=O)c2cc(C(=O)O)on2)c1.
What is the InChIKey of 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZBOCDGBSCJHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9-3-2-4-10(7-9)20-6-5-15-13(17)11-8-12(14(18)19)21-16-11/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenoxy)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).