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

C21H22ClN3O4 — CID 22431071

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(OC)c(N(C)C(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-13-5-7-14(8-6-13)21-23-19(29-24-21)9-10-20(26)25(2)16-11-15(22)17(27-3)12-18(16)28-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNWBJYWDXCFWPNJ-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.31
Rot. Bonds7

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

N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 22431071) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID22431071
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(OC)c(N(C)C(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-13-5-7-14(8-6-13)21-23-19(29-24-21)9-10-20(26)25(2)16-11-15(22)17(27-3)12-18(16)28-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNWBJYWDXCFWPNJ-UHFFFAOYSA-N
XLogP4.31
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22431073
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539
3-(3,4-dichlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100598083
N-methoxy-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46577796
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18092733
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33081665
N-butyl-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330704
2-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylbenzamide
CID 6494803
3-(2,6-dichlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604609
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55500294

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 22431071) is N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cc(OC)c(N(C)C(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NWBJYWDXCFWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-13-5-7-14(8-6-13)21-23-19(29-24-21)9-10-20(26)25(2)16-11-15(22)17(27-3)12-18(16)28-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 415.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 22431071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).