N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide

C26H32FN3O3 — CID 24719696

IUPACN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCCOC)C(=O)Cc1ccccc1
InChIInChI=1S/C26H32FN3O3/c1-4-29(5-2)26-23(25(28-33-26)21-12-14-22(27)15-13-21)19-30(16-9-17-32-3)24(31)18-20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-19H2,1-3H3
InChIKeyYBPYITCYUBIFLN-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.93
Rot. Bonds12

About N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide

N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide (PubChem CID 24719696) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide
PubChem CID24719696
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC NameN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCCOC)C(=O)Cc1ccccc1
InChIInChI=1S/C26H32FN3O3/c1-4-29(5-2)26-23(25(28-33-26)21-12-14-22(27)15-13-21)19-30(16-9-17-32-3)24(31)18-20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-19H2,1-3H3
InChIKeyYBPYITCYUBIFLN-UHFFFAOYSA-N
XLogP4.93
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide?
The IUPAC name of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide (CID 24719696) is N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide?
The canonical SMILES for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide is CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCCOC)C(=O)Cc1ccccc1.
What is the InChIKey of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide?
The InChIKey is YBPYITCYUBIFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-4-29(5-2)26-23(25(28-33-26)21-12-14-22(27)15-13-21)19-30(16-9-17-32-3)24(31)18-20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-19H2,1-3H3.
What are the key properties of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide?
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide has a molecular weight of 453.56 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide is sourced from PubChem (CID 24719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).