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

C23H27N3O3 — CID 19244712

IUPAC4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)cc1
InChIInChI=1S/C23H27N3O3/c1-4-7-14-28-19-12-10-18(11-13-19)23(27)24-22-21(25-29-26-22)20-15-16(5-2)8-9-17(20)6-3/h8-13,15H,4-7,14H2,1-3H3,(H,24,26,27)
InChIKeyHGGRBQONSPTASY-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.29
Rot. Bonds9

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

4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 19244712) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID19244712
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)cc1
InChIInChI=1S/C23H27N3O3/c1-4-7-14-28-19-12-10-18(11-13-19)23(27)24-22-21(25-29-26-22)20-15-16(5-2)8-9-17(20)6-3/h8-13,15H,4-7,14H2,1-3H3,(H,24,26,27)
InChIKeyHGGRBQONSPTASY-UHFFFAOYSA-N
XLogP5.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.29
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

3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244743
4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244672
N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
CID 17012565
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
N-butyl-4-propoxybenzamide
CID 17142951
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-butoxy-N-(1H-imidazol-2-yl)benzamide
CID 60968641
2-[3-[(4-hexoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764248
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 19244712) is 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is CCCCOc1ccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)cc1.
What is the InChIKey of 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is HGGRBQONSPTASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-7-14-28-19-12-10-18(11-13-19)23(27)24-22-21(25-29-26-22)20-15-16(5-2)8-9-17(20)6-3/h8-13,15H,4-7,14H2,1-3H3,(H,24,26,27).
What are the key properties of 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 19244712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).