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

C15H18N6O2 — CID 70713976

IUPAC2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)Cn2nc3ccccc3n2)no1
InChIInChI=1S/C15H18N6O2/c1-10(2)15-16-13(19-23-15)8-20(3)14(22)9-21-17-11-6-4-5-7-12(11)18-21/h4-7,10H,8-9H2,1-3H3
InChIKeyCNGIUBDGOHVVQR-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.60
Rot. Bonds5

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

2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 70713976) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID70713976
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)Cn2nc3ccccc3n2)no1
InChIInChI=1S/C15H18N6O2/c1-10(2)15-16-13(19-23-15)8-20(3)14(22)9-21-17-11-6-4-5-7-12(11)18-21/h4-7,10H,8-9H2,1-3H3
InChIKeyCNGIUBDGOHVVQR-UHFFFAOYSA-N
XLogP1.60
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 70713976) is 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CC(C)c1nc(CN(C)C(=O)Cn2nc3ccccc3n2)no1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is CNGIUBDGOHVVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-10(2)15-16-13(19-23-15)8-20(3)14(22)9-21-17-11-6-4-5-7-12(11)18-21/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 70713976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).