2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide

C25H23N3O3 — CID 39818952

IUPAC2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-8-10-20(11-9-17)24-27-25(31-28-24)21-12-14-22(15-13-21)30-16-23(29)26-18(2)19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyMHOGXRZTCQGAEJ-GOSISDBHSA-N
MW413.48 g/mol
LogP4.97
Rot. Bonds7

About 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide

2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 39818952) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID39818952
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-8-10-20(11-9-17)24-27-25(31-28-24)21-12-14-22(15-13-21)30-16-23(29)26-18(2)19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyMHOGXRZTCQGAEJ-GOSISDBHSA-N
XLogP4.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(1-phenylethyl)acetamide
CID 56783299
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-propylacetamide
CID 25238298
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238239
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 92870339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide (CID 39818952) is 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide is Cc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is MHOGXRZTCQGAEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-8-10-20(11-9-17)24-27-25(31-28-24)21-12-14-22(15-13-21)30-16-23(29)26-18(2)19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,26,29)/t18-/m1/s1.
What are the key properties of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 39818952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).