N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C15H21N3O3 — CID 136515906

IUPACN-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCCc1cc(-c2nc(C(C)(C)NC(C)=O)no2)oc1CC
InChIInChI=1S/C15H21N3O3/c1-6-10-8-12(20-11(10)7-2)13-16-14(18-21-13)15(4,5)17-9(3)19/h8H,6-7H2,1-5H3,(H,17,19)
InChIKeyPGZPTQILZJXKEV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 136515906) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID136515906
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCCc1cc(-c2nc(C(C)(C)NC(C)=O)no2)oc1CC
InChIInChI=1S/C15H21N3O3/c1-6-10-8-12(20-11(10)7-2)13-16-14(18-21-13)15(4,5)17-9(3)19/h8H,6-7H2,1-5H3,(H,17,19)
InChIKeyPGZPTQILZJXKEV-UHFFFAOYSA-N
XLogP2.83
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 136515906) is N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CCc1cc(-c2nc(C(C)(C)NC(C)=O)no2)oc1CC.
What is the InChIKey of N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is PGZPTQILZJXKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-6-10-8-12(20-11(10)7-2)13-16-14(18-21-13)15(4,5)17-9(3)19/h8H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 136515906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).