[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C18H13N3O5 — CID 31434620

IUPAC[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCc1noc(-c2ccco2)n1
InChIInChI=1S/C18H13N3O5/c1-11-15(20-16(25-11)12-6-3-2-4-7-12)18(22)24-10-14-19-17(26-21-14)13-8-5-9-23-13/h2-9H,10H2,1H3
InChIKeyQYGKRNIUTKLDJX-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.65
Rot. Bonds5

About [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 31434620) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID31434620
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCc1noc(-c2ccco2)n1
InChIInChI=1S/C18H13N3O5/c1-11-15(20-16(25-11)12-6-3-2-4-7-12)18(22)24-10-14-19-17(26-21-14)13-8-5-9-23-13/h2-9H,10H2,1H3
InChIKeyQYGKRNIUTKLDJX-UHFFFAOYSA-N
XLogP3.65
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 31434620) is [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OCc1noc(-c2ccco2)n1.
What is the InChIKey of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is QYGKRNIUTKLDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5/c1-11-15(20-16(25-11)12-6-3-2-4-7-12)18(22)24-10-14-19-17(26-21-14)13-8-5-9-23-13/h2-9H,10H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 351.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 31434620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).