5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide

C17H19N3O4 — CID 53110206

IUPAC5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(COc2ccc(NC(=O)CC)cc2)on1
InChIInChI=1S/C17H19N3O4/c1-3-9-18-17(22)15-10-14(24-20-15)11-23-13-7-5-12(6-8-13)19-16(21)4-2/h3,5-8,10H,1,4,9,11H2,2H3,(H,18,22)(H,19,21)
InChIKeyGHGSIOUNLYYDFV-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.52
Rot. Bonds8

About 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide

5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide (PubChem CID 53110206) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
PubChem CID53110206
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(COc2ccc(NC(=O)CC)cc2)on1
InChIInChI=1S/C17H19N3O4/c1-3-9-18-17(22)15-10-14(24-20-15)11-23-13-7-5-12(6-8-13)19-16(21)4-2/h3,5-8,10H,1,4,9,11H2,2H3,(H,18,22)(H,19,21)
InChIKeyGHGSIOUNLYYDFV-UHFFFAOYSA-N
XLogP2.52
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110065
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-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110217
N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110194
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide (CID 53110206) is 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide is C=CCNC(=O)c1cc(COc2ccc(NC(=O)CC)cc2)on1.
What is the InChIKey of 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
The InChIKey is GHGSIOUNLYYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-9-18-17(22)15-10-14(24-20-15)11-23-13-7-5-12(6-8-13)19-16(21)4-2/h3,5-8,10H,1,4,9,11H2,2H3,(H,18,22)(H,19,21).
What are the key properties of 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide?
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).