4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid

C15H17NO5 — CID 66156033

IUPAC4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
SMILESCOCc1cc(COc2c(C)cc(C(=O)O)cc2C)no1
InChIInChI=1S/C15H17NO5/c1-9-4-11(15(17)18)5-10(2)14(9)20-7-12-6-13(8-19-3)21-16-12/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyIFFSQMBITMFMSS-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.72
Rot. Bonds6

About 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid

4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid (PubChem CID 66156033) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
PubChem CID66156033
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
SMILESCOCc1cc(COc2c(C)cc(C(=O)O)cc2C)no1
InChIInChI=1S/C15H17NO5/c1-9-4-11(15(17)18)5-10(2)14(9)20-7-12-6-13(8-19-3)21-16-12/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyIFFSQMBITMFMSS-UHFFFAOYSA-N
XLogP2.72
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid (CID 66156033) is 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid is COCc1cc(COc2c(C)cc(C(=O)O)cc2C)no1.
What is the InChIKey of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid?
The InChIKey is IFFSQMBITMFMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-4-11(15(17)18)5-10(2)14(9)20-7-12-6-13(8-19-3)21-16-12/h4-6H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid?
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid has a molecular weight of 291.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 66156033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).