N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C16H18N6O2 — CID 56754573

IUPACN-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)c1noc(CN(C)C(=O)c2ccccc2-c2ncn[nH]2)n1
InChIInChI=1S/C16H18N6O2/c1-10(2)14-19-13(24-21-14)8-22(3)16(23)12-7-5-4-6-11(12)15-17-9-18-20-15/h4-7,9-10H,8H2,1-3H3,(H,17,18,20)
InChIKeyHVZCZAWXGPNGMS-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 56754573) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID56754573
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)c1noc(CN(C)C(=O)c2ccccc2-c2ncn[nH]2)n1
InChIInChI=1S/C16H18N6O2/c1-10(2)14-19-13(24-21-14)8-22(3)16(23)12-7-5-4-6-11(12)15-17-9-18-20-15/h4-7,9-10H,8H2,1-3H3,(H,17,18,20)
InChIKeyHVZCZAWXGPNGMS-UHFFFAOYSA-N
XLogP2.25
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 56754573) is N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is CC(C)c1noc(CN(C)C(=O)c2ccccc2-c2ncn[nH]2)n1.
What is the InChIKey of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is HVZCZAWXGPNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)14-19-13(24-21-14)8-22(3)16(23)12-7-5-4-6-11(12)15-17-9-18-20-15/h4-7,9-10H,8H2,1-3H3,(H,17,18,20).
What are the key properties of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 56754573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).