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

C21H23N3O3 — CID 30333388

IUPACN-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C21H23N3O3/c1-2-3-5-14-20(25)22-18-13-9-8-12-17(18)21-23-19(24-27-21)15-26-16-10-6-4-7-11-16/h4,6-13H,2-3,5,14-15H2,1H3,(H,22,25)
InChIKeyIQMPBEVVXCLBAK-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.83
Rot. Bonds9

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

N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide (PubChem CID 30333388) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
PubChem CID30333388
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C21H23N3O3/c1-2-3-5-14-20(25)22-18-13-9-8-12-17(18)21-23-19(24-27-21)15-26-16-10-6-4-7-11-16/h4,6-13H,2-3,5,14-15H2,1H3,(H,22,25)
InChIKeyIQMPBEVVXCLBAK-UHFFFAOYSA-N
XLogP4.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
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
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
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
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
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-chloro-4-nitro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30330377

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
The IUPAC name of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide (CID 30333388) is N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide.
What is the SMILES notation for N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
The canonical SMILES for N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1.
What is the InChIKey of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
The InChIKey is IQMPBEVVXCLBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-3-5-14-20(25)22-18-13-9-8-12-17(18)21-23-19(24-27-21)15-26-16-10-6-4-7-11-16/h4,6-13H,2-3,5,14-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide has a molecular weight of 365.43 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide is sourced from PubChem (CID 30333388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).