N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide

C17H17N3O4 — CID 2566808

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nnc(-c3ccco3)o2)c(C)c1
InChIInChI=1S/C17H17N3O4/c1-10-7-11(2)15(12(3)8-10)23-9-14(21)18-17-20-19-16(24-17)13-5-4-6-22-13/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyKZOVHCRBRIKDDN-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.27
Rot. Bonds5

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 2566808) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID2566808
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nnc(-c3ccco3)o2)c(C)c1
InChIInChI=1S/C17H17N3O4/c1-10-7-11(2)15(12(3)8-10)23-9-14(21)18-17-20-19-16(24-17)13-5-4-6-22-13/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyKZOVHCRBRIKDDN-UHFFFAOYSA-N
XLogP3.27
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 2566808) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2nnc(-c3ccco3)o2)c(C)c1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is KZOVHCRBRIKDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-7-11(2)15(12(3)8-10)23-9-14(21)18-17-20-19-16(24-17)13-5-4-6-22-13/h4-8H,9H2,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 327.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 2566808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).