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

C21H23N3O3 — CID 30333369

IUPACN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C21H23N3O3/c1-3-4-5-10-19(25)22-18-9-7-6-8-17(18)21-23-20(24-27-21)15-11-13-16(26-2)14-12-15/h6-9,11-14H,3-5,10H2,1-2H3,(H,22,25)
InChIKeySMVLTOWVPSTFGO-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.93
Rot. Bonds8

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

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide (PubChem CID 30333369) 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]hexanamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
PubChem CID30333369
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C21H23N3O3/c1-3-4-5-10-19(25)22-18-9-7-6-8-17(18)21-23-20(24-27-21)15-11-13-16(26-2)14-12-15/h6-9,11-14H,3-5,10H2,1-2H3,(H,22,25)
InChIKeySMVLTOWVPSTFGO-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
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
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333388
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
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-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
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 30334645

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide (CID 30333369) is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
The InChIKey is SMVLTOWVPSTFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-4-5-10-19(25)22-18-9-7-6-8-17(18)21-23-20(24-27-21)15-11-13-16(26-2)14-12-15/h6-9,11-14H,3-5,10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide?
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide has a molecular weight of 365.43 g/mol, XLogP of 4.93, 8 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]hexanamide is sourced from PubChem (CID 30333369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).