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

C17H21N3O2 — CID 164637115

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1nc(CN(C)C(=O)C[C@H]2CCCc3ccccc32)no1
InChIInChI=1S/C17H21N3O2/c1-12-18-16(19-22-12)11-20(2)17(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,5,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyARQDBDJDCDLMCG-CQSZACIVSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 164637115) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID164637115
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1nc(CN(C)C(=O)C[C@H]2CCCc3ccccc32)no1
InChIInChI=1S/C17H21N3O2/c1-12-18-16(19-22-12)11-20(2)17(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,5,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyARQDBDJDCDLMCG-CQSZACIVSA-N
XLogP2.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 164637115) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1nc(CN(C)C(=O)C[C@H]2CCCc3ccccc32)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ARQDBDJDCDLMCG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-18-16(19-22-12)11-20(2)17(21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,5,7-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 164637115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).