[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate

C24H16FNO4 — CID 16869762

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1cc(-c2ccc(F)cc2)on1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H16FNO4/c25-16-11-9-15(10-12-16)22-13-17(26-30-22)14-28-24(27)23-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)23/h1-13,23H,14H2
InChIKeyNWRNHDWKZJIWQG-UHFFFAOYSA-N
MW401.39 g/mol
LogP5.46
Rot. Bonds4

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate (PubChem CID 16869762) has the molecular formula C24H16FNO4 and a molecular weight of 401.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate
PubChem CID16869762
Molecular FormulaC24H16FNO4
Molecular Weight401.39 g/mol
Exact Mass401.11
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1cc(-c2ccc(F)cc2)on1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H16FNO4/c25-16-11-9-15(10-12-16)22-13-17(26-30-22)14-28-24(27)23-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)23/h1-13,23H,14H2
InChIKeyNWRNHDWKZJIWQG-UHFFFAOYSA-N
XLogP5.46
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate (CID 16869762) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate is O=C(OCc1cc(-c2ccc(F)cc2)on1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate?
The InChIKey is NWRNHDWKZJIWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO4/c25-16-11-9-15(10-12-16)22-13-17(26-30-22)14-28-24(27)23-18-5-1-3-7-20(18)29-21-8-4-2-6-19(21)23/h1-13,23H,14H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate has a molecular weight of 401.39 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 9H-xanthene-9-carboxylate is sourced from PubChem (CID 16869762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).