5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

C24H27N3O4 — CID 53110053

IUPAC5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)Nc1ccc(OCc2cc(C(=O)NCCCc3ccccc3)no2)cc1
InChIInChI=1S/C24H27N3O4/c1-2-7-23(28)26-19-11-13-20(14-12-19)30-17-21-16-22(27-31-21)24(29)25-15-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,16H,2,6-7,10,15,17H2,1H3,(H,25,29)(H,26,28)
InChIKeyVZQJMMGUSAMKBV-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.35
Rot. Bonds11

About 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110053) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID53110053
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)Nc1ccc(OCc2cc(C(=O)NCCCc3ccccc3)no2)cc1
InChIInChI=1S/C24H27N3O4/c1-2-7-23(28)26-19-11-13-20(14-12-19)30-17-21-16-22(27-31-21)24(29)25-15-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,16H,2,6-7,10,15,17H2,1H3,(H,25,29)(H,26,28)
InChIKeyVZQJMMGUSAMKBV-UHFFFAOYSA-N
XLogP4.35
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110155
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 53110053) is 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is CCCC(=O)Nc1ccc(OCc2cc(C(=O)NCCCc3ccccc3)no2)cc1.
What is the InChIKey of 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VZQJMMGUSAMKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-7-23(28)26-19-11-13-20(14-12-19)30-17-21-16-22(27-31-21)24(29)25-15-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,16H,2,6-7,10,15,17H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).