3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C11H11NO4 — CID 2978658

IUPAC3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccccc1C1=NOC(C(=O)O)C1
InChIInChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)
InChIKeyDZQPCQZVKAAAJK-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.27
Rot. Bonds3

About 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 2978658) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID2978658
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccccc1C1=NOC(C(=O)O)C1
InChIInChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)
InChIKeyDZQPCQZVKAAAJK-UHFFFAOYSA-N
XLogP1.27
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 2978658) is 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is COc1ccccc1C1=NOC(C(=O)O)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is DZQPCQZVKAAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14).
What are the key properties of 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 2978658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).