(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate

C15H12N2O4 — CID 2099054

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)o1
InChIInChI=1S/C15H12N2O4/c1-10-7-8-12(20-10)15(18)19-9-13-16-17-14(21-13)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNQKJBIQBRBWQAH-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.00
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate (PubChem CID 2099054) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate
PubChem CID2099054
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)o1
InChIInChI=1S/C15H12N2O4/c1-10-7-8-12(20-10)15(18)19-9-13-16-17-14(21-13)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNQKJBIQBRBWQAH-UHFFFAOYSA-N
XLogP3.00
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate (CID 2099054) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate?
The InChIKey is NQKJBIQBRBWQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10-7-8-12(20-10)15(18)19-9-13-16-17-14(21-13)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate is sourced from PubChem (CID 2099054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).