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

C22H24N2O4 — CID 16866990

IUPAC4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C22H24N2O4/c1-3-4-12-27-19-10-8-16(9-11-19)22(25)23-15-18-14-21(28-24-18)17-6-5-7-20(13-17)26-2/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,25)
InChIKeyBDJQORMPJXMFNR-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.46
Rot. Bonds9

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

4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16866990) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16866990
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C22H24N2O4/c1-3-4-12-27-19-10-8-16(9-11-19)22(25)23-15-18-14-21(28-24-18)17-6-5-7-20(13-17)26-2/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,25)
InChIKeyBDJQORMPJXMFNR-UHFFFAOYSA-N
XLogP4.46
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.46
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-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[3-(4-fluorophenoxy)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313468
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91778429
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
N-[[5-(4-butoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846827

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16866990) is 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is CCCCOc1ccc(C(=O)NCc2cc(-c3cccc(OC)c3)on2)cc1.
What is the InChIKey of 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is BDJQORMPJXMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-4-12-27-19-10-8-16(9-11-19)22(25)23-15-18-14-21(28-24-18)17-6-5-7-20(13-17)26-2/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,23,25).
What are the key properties of 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16866990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).