N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide

C21H25N5O3 — CID 121315771

IUPACN-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1nc(C(=O)C(C)C)c(C)o1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H25N5O3/c1-5-25(13-10-18-24-19(15(4)29-18)20(27)14(2)3)21(28)16-8-6-7-9-17(16)26-22-11-12-23-26/h6-9,11-12,14H,5,10,13H2,1-4H3
InChIKeyUZFNXYBOGMXGBB-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.11
Rot. Bonds8

About N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 121315771) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID121315771
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1nc(C(=O)C(C)C)c(C)o1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H25N5O3/c1-5-25(13-10-18-24-19(15(4)29-18)20(27)14(2)3)21(28)16-8-6-7-9-17(16)26-22-11-12-23-26/h6-9,11-12,14H,5,10,13H2,1-4H3
InChIKeyUZFNXYBOGMXGBB-UHFFFAOYSA-N
XLogP3.11
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 121315771) is N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCc1nc(C(=O)C(C)C)c(C)o1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is UZFNXYBOGMXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-5-25(13-10-18-24-19(15(4)29-18)20(27)14(2)3)21(28)16-8-6-7-9-17(16)26-22-11-12-23-26/h6-9,11-12,14H,5,10,13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121315771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).