N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide

C19H20N4O2 — CID 71972931

IUPACN-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2nnc(Cc3ccccc3)o2)c1
InChIInChI=1S/C19H20N4O2/c1-13-8-9-16(21-14(2)24)11-17(13)20-12-19-23-22-18(25-19)10-15-6-4-3-5-7-15/h3-9,11,20H,10,12H2,1-2H3,(H,21,24)
InChIKeyWMVGECWXNZXYDA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.54
Rot. Bonds6

About N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide

N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide (PubChem CID 71972931) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide
PubChem CID71972931
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2nnc(Cc3ccccc3)o2)c1
InChIInChI=1S/C19H20N4O2/c1-13-8-9-16(21-14(2)24)11-17(13)20-12-19-23-22-18(25-19)10-15-6-4-3-5-7-15/h3-9,11,20H,10,12H2,1-2H3,(H,21,24)
InChIKeyWMVGECWXNZXYDA-UHFFFAOYSA-N
XLogP3.54
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
CID 110653353
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-bromoaniline
CID 110653370
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-fluoroaniline
CID 110653357
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
CID 43739518
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 3943131

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide (CID 71972931) is N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2nnc(Cc3ccccc3)o2)c1.
What is the InChIKey of N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is WMVGECWXNZXYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-8-9-16(21-14(2)24)11-17(13)20-12-19-23-22-18(25-19)10-15-6-4-3-5-7-15/h3-9,11,20H,10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 71972931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).