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

C23H19NO6 — CID 10363902

IUPACmethyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2oc1=O
InChIInChI=1S/C23H19NO6/c1-14-19(24-21(29-14)15-6-4-3-5-7-15)10-11-28-17-9-8-16-12-18(22(25)27-2)23(26)30-20(16)13-17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyPIVRJBXWRRRQRB-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.16
Rot. Bonds6

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

methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate (PubChem CID 10363902) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate
PubChem CID10363902
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Namemethyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2oc1=O
InChIInChI=1S/C23H19NO6/c1-14-19(24-21(29-14)15-6-4-3-5-7-15)10-11-28-17-9-8-16-12-18(22(25)27-2)23(26)30-20(16)13-17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyPIVRJBXWRRRQRB-UHFFFAOYSA-N
XLogP4.16
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate?
The IUPAC name of methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate (CID 10363902) is methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate.
What is the SMILES notation for methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate?
The canonical SMILES for methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate is COC(=O)c1cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2oc1=O.
What is the InChIKey of methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate?
The InChIKey is PIVRJBXWRRRQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-14-19(24-21(29-14)15-6-4-3-5-7-15)10-11-28-17-9-8-16-12-18(22(25)27-2)23(26)30-20(16)13-17/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate?
methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate is sourced from PubChem (CID 10363902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).