4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide

C21H23N3O3 — CID 30333454

IUPAC4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
SMILESCC(C)CCC(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C21H23N3O3/c1-15(2)12-13-20(25)22-18-11-7-6-10-17(18)21-23-19(24-27-21)14-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyHZLFWYKWMQLTBV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.69
Rot. Bonds8

About 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide

4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide (PubChem CID 30333454) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
PubChem CID30333454
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
SMILESCC(C)CCC(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C21H23N3O3/c1-15(2)12-13-20(25)22-18-11-7-6-10-17(18)21-23-19(24-27-21)14-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyHZLFWYKWMQLTBV-UHFFFAOYSA-N
XLogP4.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333388
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30334549
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
2-chloro-4-nitro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30330377
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 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide (CID 30333454) is 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide is CC(C)CCC(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1.
What is the InChIKey of 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide?
The InChIKey is HZLFWYKWMQLTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)12-13-20(25)22-18-11-7-6-10-17(18)21-23-19(24-27-21)14-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide?
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide has a molecular weight of 365.43 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide is sourced from PubChem (CID 30333454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).