[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate

C22H13NO6 — CID 30608554

IUPAC[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
SMILESO=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H13NO6/c24-21(16-9-13-5-1-4-8-18(13)28-22(16)25)26-12-15-11-20(29-23-15)19-10-14-6-2-3-7-17(14)27-19/h1-11H,12H2
InChIKeyCQPBDTCOAZFNID-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.55
Rot. Bonds4

About [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate (PubChem CID 30608554) has the molecular formula C22H13NO6 and a molecular weight of 387.35 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
PubChem CID30608554
Molecular FormulaC22H13NO6
Molecular Weight387.35 g/mol
Exact Mass387.07
IUPAC Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
SMILESO=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H13NO6/c24-21(16-9-13-5-1-4-8-18(13)28-22(16)25)26-12-15-11-20(29-23-15)19-10-14-6-2-3-7-17(14)27-19/h1-11H,12H2
InChIKeyCQPBDTCOAZFNID-UHFFFAOYSA-N
XLogP4.55
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
CID 30608484
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-oxochromene-3-carboxylate
CID 3878538
(4-chlorophenyl)methyl 2-oxochromene-3-carboxylate
CID 962039
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
(3-fluorophenyl)methyl 2-oxochromene-3-carboxylate
CID 1264340
(4-propan-2-ylphenyl)methyl 2-oxochromene-3-carboxylate
CID 8708014
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 30608478
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 30608149
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
[2-amino-2-(1,3-benzothiazol-2-yl)ethyl] 2-oxochromene-3-carboxylate
CID 91305542

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate?
The IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate (CID 30608554) is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate is O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2oc1=O.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate?
The InChIKey is CQPBDTCOAZFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO6/c24-21(16-9-13-5-1-4-8-18(13)28-22(16)25)26-12-15-11-20(29-23-15)19-10-14-6-2-3-7-17(14)27-19/h1-11H,12H2.
What are the key properties of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate?
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate has a molecular weight of 387.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate is sourced from PubChem (CID 30608554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).