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

C23H27N3O3 — CID 19244743

IUPAC3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)c1
InChIInChI=1S/C23H27N3O3/c1-4-7-13-28-19-10-8-9-18(15-19)23(27)24-22-21(25-29-26-22)20-14-16(5-2)11-12-17(20)6-3/h8-12,14-15H,4-7,13H2,1-3H3,(H,24,26,27)
InChIKeyFAGJWDACGUHEPR-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.29
Rot. Bonds9

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

3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 19244743) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID19244743
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)c1
InChIInChI=1S/C23H27N3O3/c1-4-7-13-28-19-10-8-9-18(15-19)23(27)24-22-21(25-29-26-22)20-14-16(5-2)11-12-17(20)6-3/h8-12,14-15H,4-7,13H2,1-3H3,(H,24,26,27)
InChIKeyFAGJWDACGUHEPR-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

4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244712
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 19244743) is 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is CCCCOc1cccc(C(=O)Nc2nonc2-c2cc(CC)ccc2CC)c1.
What is the InChIKey of 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is FAGJWDACGUHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-7-13-28-19-10-8-9-18(15-19)23(27)24-22-21(25-29-26-22)20-14-16(5-2)11-12-17(20)6-3/h8-12,14-15H,4-7,13H2,1-3H3,(H,24,26,27).
What are the key properties of 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
3-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 3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 19244743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).