3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid

C15H15NO6 — CID 117490575

IUPAC3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)on2)cc1OC1CCOC1
InChIInChI=1S/C15H15NO6/c1-19-12-3-2-9(11-7-14(15(17)18)22-16-11)6-13(12)21-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,18)
InChIKeyBSWZOIGTJCOWQR-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.22
Rot. Bonds5

About 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117490575) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117490575
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)on2)cc1OC1CCOC1
InChIInChI=1S/C15H15NO6/c1-19-12-3-2-9(11-7-14(15(17)18)22-16-11)6-13(12)21-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,18)
InChIKeyBSWZOIGTJCOWQR-UHFFFAOYSA-N
XLogP2.22
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
3-[4-(oxan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467181
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
3-(4-methoxy-3-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117478784
3-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-oxopropanal
CID 58883405
3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117401327
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117490575) is 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(-c2cc(C(=O)O)on2)cc1OC1CCOC1.
What is the InChIKey of 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is BSWZOIGTJCOWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-19-12-3-2-9(11-7-14(15(17)18)22-16-11)6-13(12)21-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117490575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).