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

C21H14N2O5 — CID 8013867

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1nnc(-c2ccco2)o1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H14N2O5/c24-21(26-12-18-22-23-20(28-18)17-10-5-11-25-17)19-13-6-1-3-8-15(13)27-16-9-4-2-7-14(16)19/h1-11,19H,12H2
InChIKeyYZMDNRXNPXQMKC-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.31
Rot. Bonds4

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate (PubChem CID 8013867) has the molecular formula C21H14N2O5 and a molecular weight of 374.35 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate
PubChem CID8013867
Molecular FormulaC21H14N2O5
Molecular Weight374.35 g/mol
Exact Mass374.09
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1nnc(-c2ccco2)o1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H14N2O5/c24-21(26-12-18-22-23-20(28-18)17-10-5-11-25-17)19-13-6-1-3-8-15(13)27-16-9-4-2-7-14(16)19/h1-11,19H,12H2
InChIKeyYZMDNRXNPXQMKC-UHFFFAOYSA-N
XLogP4.31
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-nitrophenyl)acetate
CID 8765731
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523315
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenoxybenzoate
CID 7985148
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454493
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate
CID 7838320

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate (CID 8013867) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate is O=C(OCc1nnc(-c2ccco2)o1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate?
The InChIKey is YZMDNRXNPXQMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O5/c24-21(26-12-18-22-23-20(28-18)17-10-5-11-25-17)19-13-6-1-3-8-15(13)27-16-9-4-2-7-14(16)19/h1-11,19H,12H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate has a molecular weight of 374.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 9H-xanthene-9-carboxylate is sourced from PubChem (CID 8013867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).