N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide

C14H17ClN4O2 — CID 106417038

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCc1noc(CCNCC(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H17ClN4O2/c1-9-3-4-11(15)7-12(9)18-13(20)8-16-6-5-14-17-10(2)19-21-14/h3-4,7,16H,5-6,8H2,1-2H3,(H,18,20)
InChIKeyHDWAWZWWGJPTCK-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.11
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide (PubChem CID 106417038) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
PubChem CID106417038
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCc1noc(CCNCC(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H17ClN4O2/c1-9-3-4-11(15)7-12(9)18-13(20)8-16-6-5-14-17-10(2)19-21-14/h3-4,7,16H,5-6,8H2,1-2H3,(H,18,20)
InChIKeyHDWAWZWWGJPTCK-UHFFFAOYSA-N
XLogP2.11
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
N-(5-chloro-2-methylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758765
N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417232
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-[(2,5-dichlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103845009
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide (CID 106417038) is N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide is Cc1noc(CCNCC(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The InChIKey is HDWAWZWWGJPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9-3-4-11(15)7-12(9)18-13(20)8-16-6-5-14-17-10(2)19-21-14/h3-4,7,16H,5-6,8H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide has a molecular weight of 308.77 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 106417038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).