[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate

C18H13NO5 — CID 8749200

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H13NO5/c20-18(13-8-12-4-1-2-5-15(12)22-10-13)23-11-14-9-17(24-19-14)16-6-3-7-21-16/h1-9H,10-11H2
InChIKeyOKGROYYLUDPLMS-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.45
Rot. Bonds4

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate (PubChem CID 8749200) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
PubChem CID8749200
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H13NO5/c20-18(13-8-12-4-1-2-5-15(12)22-10-13)23-11-14-9-17(24-19-14)16-6-3-7-21-16/h1-9H,10-11H2
InChIKeyOKGROYYLUDPLMS-UHFFFAOYSA-N
XLogP3.45
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8561749
1,3-thiazol-2-ylmethyl 2H-chromene-3-carboxylate
CID 51093336
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2H-chromene-3-carboxylate
CID 8747046
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539435
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602061
(3-cyanophenyl)methyl 2H-chromene-3-carboxylate
CID 8746371
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2H-chromene-3-carboxylate
CID 8746428

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate (CID 8749200) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate is O=C(OCc1cc(-c2ccco2)on1)C1=Cc2ccccc2OC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate?
The InChIKey is OKGROYYLUDPLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-18(13-8-12-4-1-2-5-15(12)22-10-13)23-11-14-9-17(24-19-14)16-6-3-7-21-16/h1-9H,10-11H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate is sourced from PubChem (CID 8749200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).