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

C24H21NO7 — CID 25149124

IUPACmethyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2oc1=O
InChIInChI=1S/C24H21NO7/c1-14-20(25-22(31-14)16-5-4-6-17(11-16)28-2)9-10-30-18-8-7-15-12-19(23(26)29-3)24(27)32-21(15)13-18/h4-8,11-13H,9-10H2,1-3H3
InChIKeyCVQDRFJTXXPSCU-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.17
Rot. Bonds7

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

methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate (PubChem CID 25149124) has the molecular formula C24H21NO7 and a molecular weight of 435.43 g/mol. Its IUPAC name is methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate
PubChem CID25149124
Molecular FormulaC24H21NO7
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC Namemethyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2oc1=O
InChIInChI=1S/C24H21NO7/c1-14-20(25-22(31-14)16-5-4-6-17(11-16)28-2)9-10-30-18-8-7-15-12-19(23(26)29-3)24(27)32-21(15)13-18/h4-8,11-13H,9-10H2,1-3H3
InChIKeyCVQDRFJTXXPSCU-UHFFFAOYSA-N
XLogP4.17
TPSA101.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate?
The IUPAC name of methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate (CID 25149124) is methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate.
What is the SMILES notation for methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate?
The canonical SMILES for methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate is COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2oc1=O.
What is the InChIKey of methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate?
The InChIKey is CVQDRFJTXXPSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO7/c1-14-20(25-22(31-14)16-5-4-6-17(11-16)28-2)9-10-30-18-8-7-15-12-19(23(26)29-3)24(27)32-21(15)13-18/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate?
methyl 7-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate has a molecular weight of 435.43 g/mol, XLogP of 4.17, 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-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate is sourced from PubChem (CID 25149124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).