N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H18ClN3O2 — CID 22431073

IUPACN-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-9-14(10-8-13)19-21-17(25-22-19)11-12-18(24)23(2)16-6-4-3-5-15(16)20/h3-10H,11-12H2,1-2H3
InChIKeyULIXVVZKRJUDCW-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.29
Rot. Bonds5

About N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 22431073) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID22431073
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-9-14(10-8-13)19-21-17(25-22-19)11-12-18(24)23(2)16-6-4-3-5-15(16)20/h3-10H,11-12H2,1-2H3
InChIKeyULIXVVZKRJUDCW-UHFFFAOYSA-N
XLogP4.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22431071
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539
N-butyl-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330704
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylphenyl)propanamide
CID 22431108
3-(3,4-dichlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100598083
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 83288780
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288758
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46546217

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 22431073) is N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3Cl)n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ULIXVVZKRJUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-7-9-14(10-8-13)19-21-17(25-22-19)11-12-18(24)23(2)16-6-4-3-5-15(16)20/h3-10H,11-12H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 355.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 22431073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).