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

C15H19N5O3 — CID 50978135

IUPACN-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNCc2nnc(C)o2)cc1
InChIInChI=1S/C15H19N5O3/c1-10(21)18-13-5-3-12(4-6-13)7-17-14(22)8-16-9-15-20-19-11(2)23-15/h3-6,16H,7-9H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyPGJABHRZAPODCY-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.74
Rot. Bonds7

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

N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide (PubChem CID 50978135) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
PubChem CID50978135
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNCc2nnc(C)o2)cc1
InChIInChI=1S/C15H19N5O3/c1-10(21)18-13-5-3-12(4-6-13)7-17-14(22)8-16-9-15-20-19-11(2)23-15/h3-6,16H,7-9H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyPGJABHRZAPODCY-UHFFFAOYSA-N
XLogP0.74
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(2,4-Dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 865402
N-Benzyl-N-tert-butyl-2-{5-[(2,4-dimethyl-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 649516
N-Benzyl-N-tert-butyl-2-{5-[(4-fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 655520
{5-[(2,4-Dimethyl-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetonitrile
CID 3167589
N-(4-ethylphenyl)-2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 16306603
N1-(3-fluoro-4-methylphenyl)-N2-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)oxalamide
CID 45584853
1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine
CID 51108424
1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(4-methylphenyl)piperidin-4-amine
CID 53565830
2-[4-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone
CID 71863680
N-(3-methylphenyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 72001430
1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 72001433
N-(3-methylphenyl)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 72006623

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide (CID 50978135) is N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide is CC(=O)Nc1ccc(CNC(=O)CNCc2nnc(C)o2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide?
The InChIKey is PGJABHRZAPODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10(21)18-13-5-3-12(4-6-13)7-17-14(22)8-16-9-15-20-19-11(2)23-15/h3-6,16H,7-9H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 50978135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).