methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate

C24H23NO7 — CID 25149129

IUPACmethyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
SMILESCOC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2OC1=O
InChIInChI=1S/C24H23NO7/c1-14-20(25-22(31-14)15-4-7-17(28-2)8-5-15)10-11-30-18-9-6-16-12-19(23(26)29-3)24(27)32-21(16)13-18/h4-9,13,19H,10-12H2,1-3H3
InChIKeyVWBNKCDXJTZDIT-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.53
Rot. Bonds7

About methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate

methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate (PubChem CID 25149129) has the molecular formula C24H23NO7 and a molecular weight of 437.45 g/mol. Its IUPAC name is methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
PubChem CID25149129
Molecular FormulaC24H23NO7
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Namemethyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
SMILESCOC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2OC1=O
InChIInChI=1S/C24H23NO7/c1-14-20(25-22(31-14)15-4-7-17(28-2)8-5-15)10-11-30-18-9-6-16-12-19(23(26)29-3)24(27)32-21(16)13-18/h4-9,13,19H,10-12H2,1-3H3
InChIKeyVWBNKCDXJTZDIT-UHFFFAOYSA-N
XLogP3.53
TPSA97.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate?
The IUPAC name of methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate (CID 25149129) is methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate.
What is the SMILES notation for methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate?
The canonical SMILES for methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate is COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2OC1=O.
What is the InChIKey of methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate?
The InChIKey is VWBNKCDXJTZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7/c1-14-20(25-22(31-14)15-4-7-17(28-2)8-5-15)10-11-30-18-9-6-16-12-19(23(26)29-3)24(27)32-21(16)13-18/h4-9,13,19H,10-12H2,1-3H3.
What are the key properties of methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate?
methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate is sourced from PubChem (CID 25149129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).