2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide

C23H27N3O4 — CID 132663506

IUPAC2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
SMILESCCc1ccc(OC(CC)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C23H27N3O4/c1-5-16-7-11-19(12-8-16)29-20(6-2)23(27)26(3)15-21-24-22(25-30-21)17-9-13-18(28-4)14-10-17/h7-14,20H,5-6,15H2,1-4H3
InChIKeyKMIQGKSBSYOVPA-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.12
Rot. Bonds9

About 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide

2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide (PubChem CID 132663506) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
PubChem CID132663506
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
SMILESCCc1ccc(OC(CC)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C23H27N3O4/c1-5-16-7-11-19(12-8-16)29-20(6-2)23(27)26(3)15-21-24-22(25-30-21)17-9-13-18(28-4)14-10-17/h7-14,20H,5-6,15H2,1-4H3
InChIKeyKMIQGKSBSYOVPA-UHFFFAOYSA-N
XLogP4.12
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 132660175
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
CID 132662134
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 17096204
(2S)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 8875217
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)-N-methylbutanamide
CID 132672307
(2S)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 8875213
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132660166
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
2-(4-bromophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 50875020
N-methyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132654741
(2R)-2-(4-tert-butylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267380
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide (CID 132663506) is 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide is CCc1ccc(OC(CC)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide?
The InChIKey is KMIQGKSBSYOVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-16-7-11-19(12-8-16)29-20(6-2)23(27)26(3)15-21-24-22(25-30-21)17-9-13-18(28-4)14-10-17/h7-14,20H,5-6,15H2,1-4H3.
What are the key properties of 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide?
2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide has a molecular weight of 409.49 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide is sourced from PubChem (CID 132663506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).