N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide

C17H16N4O3 — CID 71876926

IUPACN-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2cc(C3CC3)on2)n1)NCc1ccccc1
InChIInChI=1S/C17H16N4O3/c22-16(18-10-11-4-2-1-3-5-11)9-15-19-17(24-21-15)13-8-14(23-20-13)12-6-7-12/h1-5,8,12H,6-7,9-10H2,(H,18,22)
InChIKeyBGGSXCQLSXUAFE-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.46
Rot. Bonds6

About N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide

N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 71876926) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID71876926
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2cc(C3CC3)on2)n1)NCc1ccccc1
InChIInChI=1S/C17H16N4O3/c22-16(18-10-11-4-2-1-3-5-11)9-15-19-17(24-21-15)13-8-14(23-20-13)12-6-7-12/h1-5,8,12H,6-7,9-10H2,(H,18,22)
InChIKeyBGGSXCQLSXUAFE-UHFFFAOYSA-N
XLogP2.46
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide (CID 71876926) is N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc(-c2cc(C3CC3)on2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is BGGSXCQLSXUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-16(18-10-11-4-2-1-3-5-11)9-15-19-17(24-21-15)13-8-14(23-20-13)12-6-7-12/h1-5,8,12H,6-7,9-10H2,(H,18,22).
What are the key properties of N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 71876926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).