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

C19H17Cl2N3O3 — CID 8874789

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H17Cl2N3O3/c1-11-3-5-13(6-4-11)18-23-17(27-24-18)10-22-19(25)12(2)26-16-8-7-14(20)9-15(16)21/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyLHWAWXSRBQIPNK-GFCCVEGCSA-N
MW406.27 g/mol
LogP4.44
Rot. Bonds6

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

(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 8874789) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID8874789
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H17Cl2N3O3/c1-11-3-5-13(6-4-11)18-23-17(27-24-18)10-22-19(25)12(2)26-16-8-7-14(20)9-15(16)21/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyLHWAWXSRBQIPNK-GFCCVEGCSA-N
XLogP4.44
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylphenoxy)propanamide
CID 8894845
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
2-(2,4-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875003
(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100649436
2-(3-chlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658213
(2R)-2-(2-chlorophenoxy)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267412
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655
2-(4-chloro-3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132661134
2-(2,5-dimethylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132656930
(2R)-N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 97267442
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267394

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 8874789) is (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is LHWAWXSRBQIPNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-11-3-5-13(6-4-11)18-23-17(27-24-18)10-22-19(25)12(2)26-16-8-7-14(20)9-15(16)21/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 406.27 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 8874789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).