N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide

C21H23N3O3 — CID 30333438

IUPACN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)CCC(C)C)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)8-13-19(25)22-18-7-5-4-6-17(18)21-23-20(24-27-21)15-9-11-16(26-3)12-10-15/h4-7,9-12,14H,8,13H2,1-3H3,(H,22,25)
InChIKeyQISHCHOWYQXFPU-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.79
Rot. Bonds7

About N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide (PubChem CID 30333438) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
PubChem CID30333438
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)CCC(C)C)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)8-13-19(25)22-18-7-5-4-6-17(18)21-23-20(24-27-21)15-9-11-16(26-3)12-10-15/h4-7,9-12,14H,8,13H2,1-3H3,(H,22,25)
InChIKeyQISHCHOWYQXFPU-UHFFFAOYSA-N
XLogP4.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-diphenylacetamide
CID 30332666
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
(2S)-2-(4-fluorophenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866757
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 30331766
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide (CID 30333438) is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)CCC(C)C)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide?
The InChIKey is QISHCHOWYQXFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)8-13-19(25)22-18-7-5-4-6-17(18)21-23-20(24-27-21)15-9-11-16(26-3)12-10-15/h4-7,9-12,14H,8,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide?
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide has a molecular weight of 365.43 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 30333438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).