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

C17H15ClN4O2 — CID 110652353

IUPACN-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H15ClN4O2/c1-11(23)20-15-7-3-6-14(9-15)19-10-16-21-22-17(24-16)12-4-2-5-13(18)8-12/h2-9,19H,10H2,1H3,(H,20,23)
InChIKeyWRCBOXYLLWCCQJ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.96
Rot. Bonds5

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

N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide (PubChem CID 110652353) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
PubChem CID110652353
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H15ClN4O2/c1-11(23)20-15-7-3-6-14(9-15)19-10-16-21-22-17(24-16)12-4-2-5-13(18)8-12/h2-9,19H,10H2,1H3,(H,20,23)
InChIKeyWRCBOXYLLWCCQJ-UHFFFAOYSA-N
XLogP3.96
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110651765
3-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652371
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide
CID 75426714
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399
2-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652370
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide (CID 110652353) is N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
The InChIKey is WRCBOXYLLWCCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11(23)20-15-7-3-6-14(9-15)19-10-16-21-22-17(24-16)12-4-2-5-13(18)8-12/h2-9,19H,10H2,1H3,(H,20,23).
What are the key properties of N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide has a molecular weight of 342.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide is sourced from PubChem (CID 110652353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).