[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

C16H18N4O4 — CID 47007556

IUPAC[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCc1cc(-c2nnc(COC(=O)Cc3c(C)n[nH]c3C)o2)c(C)o1
InChIInChI=1S/C16H18N4O4/c1-8-5-13(11(4)23-8)16-20-19-14(24-16)7-22-15(21)6-12-9(2)17-18-10(12)3/h5H,6-7H2,1-4H3,(H,17,18)
InChIKeyQMUUKSIAALESFP-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.57
Rot. Bonds5

About [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (PubChem CID 47007556) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
PubChem CID47007556
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCc1cc(-c2nnc(COC(=O)Cc3c(C)n[nH]c3C)o2)c(C)o1
InChIInChI=1S/C16H18N4O4/c1-8-5-13(11(4)23-8)16-20-19-14(24-16)7-22-15(21)6-12-9(2)17-18-10(12)3/h5H,6-7H2,1-4H3,(H,17,18)
InChIKeyQMUUKSIAALESFP-UHFFFAOYSA-N
XLogP2.57
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (CID 47007556) is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is Cc1cc(-c2nnc(COC(=O)Cc3c(C)n[nH]c3C)o2)c(C)o1.
What is the InChIKey of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The InChIKey is QMUUKSIAALESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-8-5-13(11(4)23-8)16-20-19-14(24-16)7-22-15(21)6-12-9(2)17-18-10(12)3/h5H,6-7H2,1-4H3,(H,17,18).
What are the key properties of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate has a molecular weight of 330.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 47007556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).