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

C21H23N3O3 — CID 90562023

IUPAC4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc1
InChIInChI=1S/C21H23N3O3/c1-3-4-13-26-18-11-9-16(10-12-18)21(25)23-19-8-6-5-7-17(19)14-20-22-15(2)24-27-20/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQBHJOCVLFIHOGV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.40
Rot. Bonds8

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

4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 90562023) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID90562023
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc1
InChIInChI=1S/C21H23N3O3/c1-3-4-13-26-18-11-9-16(10-12-18)21(25)23-19-8-6-5-7-17(19)14-20-22-15(2)24-27-20/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQBHJOCVLFIHOGV-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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

1-(4-butoxyphenyl)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800485
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 71800437
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
2-ethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562020
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
CID 71800432
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide
CID 97414222

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 90562023) is 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccccc2Cc2nc(C)no2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is QBHJOCVLFIHOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-4-13-26-18-11-9-16(10-12-18)21(25)23-19-8-6-5-7-17(19)14-20-22-15(2)24-27-20/h5-12H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90562023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).