2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

C12H22N4O2 — CID 56812880

IUPAC2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nc(C(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-4-5-6-16(7-10(13)17)8-11-14-12(9(2)3)15-18-11/h9H,4-8H2,1-3H3,(H2,13,17)
InChIKeyNZTHQRCGXKXYPY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.28
Rot. Bonds8

About 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (PubChem CID 56812880) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
PubChem CID56812880
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nc(C(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-4-5-6-16(7-10(13)17)8-11-14-12(9(2)3)15-18-11/h9H,4-8H2,1-3H3,(H2,13,17)
InChIKeyNZTHQRCGXKXYPY-UHFFFAOYSA-N
XLogP1.28
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (CID 56812880) is 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1nc(C(C)C)no1.
What is the InChIKey of 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The InChIKey is NZTHQRCGXKXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-6-16(7-10(13)17)8-11-14-12(9(2)3)15-18-11/h9H,4-8H2,1-3H3,(H2,13,17).
What are the key properties of 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide has a molecular weight of 254.33 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 56812880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).