2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide

C12H17N5O2 — CID 72925150

IUPAC2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cc(C)on1
InChIInChI=1S/C12H17N5O2/c1-3-4-5-17-12(9-6-8(2)19-16-9)14-11(15-17)7-10(13)18/h6H,3-5,7H2,1-2H3,(H2,13,18)
InChIKeyHGJPJJGHLOBIDI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 72925150) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID72925150
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cc(C)on1
InChIInChI=1S/C12H17N5O2/c1-3-4-5-17-12(9-6-8(2)19-16-9)14-11(15-17)7-10(13)18/h6H,3-5,7H2,1-2H3,(H2,13,18)
InChIKeyHGJPJJGHLOBIDI-UHFFFAOYSA-N
XLogP1.07
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide (CID 72925150) is 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1-c1cc(C)on1.
What is the InChIKey of 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HGJPJJGHLOBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-4-5-17-12(9-6-8(2)19-16-9)14-11(15-17)7-10(13)18/h6H,3-5,7H2,1-2H3,(H2,13,18).
What are the key properties of 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72925150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).