N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C16H17N5O2 — CID 77097472

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C16H17N5O2/c1-12-14(20-23-19-12)9-16(22)18-15(10-21-8-7-17-11-21)13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3,(H,18,22)
InChIKeyVOASMIHHHRGLFL-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.67
Rot. Bonds6

About N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 77097472) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID77097472
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C16H17N5O2/c1-12-14(20-23-19-12)9-16(22)18-15(10-21-8-7-17-11-21)13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3,(H,18,22)
InChIKeyVOASMIHHHRGLFL-UHFFFAOYSA-N
XLogP1.67
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 77097472) is N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is VOASMIHHHRGLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-12-14(20-23-19-12)9-16(22)18-15(10-21-8-7-17-11-21)13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3,(H,18,22).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 311.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 77097472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).