(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide

C25H23N3O4 — CID 39866674

IUPAC(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C25H23N3O4/c1-16-12-14-18(15-13-16)23-27-25(32-28-23)19-8-4-5-9-20(19)26-24(29)17(2)31-22-11-7-6-10-21(22)30-3/h4-15,17H,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeySJPROWOBAXLMEV-KRWDZBQOSA-N
MW429.48 g/mol
LogP5.13
Rot. Bonds7

About (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide

(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (PubChem CID 39866674) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
PubChem CID39866674
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C25H23N3O4/c1-16-12-14-18(15-13-16)23-27-25(32-28-23)19-8-4-5-9-20(19)26-24(29)17(2)31-22-11-7-6-10-21(22)30-3/h4-15,17H,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeySJPROWOBAXLMEV-KRWDZBQOSA-N
XLogP5.13
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 154811264
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
CID 30332666
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide (CID 39866674) is (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
The InChIKey is SJPROWOBAXLMEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-16-12-14-18(15-13-16)23-27-25(32-28-23)19-8-4-5-9-20(19)26-24(29)17(2)31-22-11-7-6-10-21(22)30-3/h4-15,17H,1-3H3,(H,26,29)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide?
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide has a molecular weight of 429.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 39866674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).