[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate

C24H16N2O4 — CID 24669546

IUPAC[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate
SMILESCc1ccc(-c2nc(COC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)no2)cc1
InChIInChI=1S/C24H16N2O4/c1-14-6-8-15(9-7-14)23-25-21(26-30-23)13-29-24(28)16-10-11-18-17-4-2-3-5-19(17)22(27)20(18)12-16/h2-12H,13H2,1H3
InChIKeyIOQJIUUDLUBMDO-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.61
Rot. Bonds4

About [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate

[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate (PubChem CID 24669546) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate
PubChem CID24669546
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate
SMILESCc1ccc(-c2nc(COC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)no2)cc1
InChIInChI=1S/C24H16N2O4/c1-14-6-8-15(9-7-14)23-25-21(26-30-23)13-29-24(28)16-10-11-18-17-4-2-3-5-19(17)22(27)20(18)12-16/h2-12H,13H2,1H3
InChIKeyIOQJIUUDLUBMDO-UHFFFAOYSA-N
XLogP4.61
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-methyl-3-sulfamoylbenzoate
CID 55568642
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-methylfuran-2-carboxylate
CID 30658249
2-methylpropyl 9-oxofluorene-2-carboxylate
CID 24619322
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate
CID 34218893
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate
CID 55552084
methoxymethyl 9,10-dioxoanthracene-2-carboxylate
CID 20798432
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate
CID 47020775
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 30706243
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61026773
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 55536450
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate (CID 24669546) is [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate is Cc1ccc(-c2nc(COC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate?
The InChIKey is IOQJIUUDLUBMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-14-6-8-15(9-7-14)23-25-21(26-30-23)13-29-24(28)16-10-11-18-17-4-2-3-5-19(17)22(27)20(18)12-16/h2-12H,13H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate?
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate is sourced from PubChem (CID 24669546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).