5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide

C26H31N3O5 — CID 46111906

IUPAC5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCC(=O)NCCOc3ccccc3)CC(C)C)no2)c1
InChIInChI=1S/C26H31N3O5/c1-19(2)18-29(14-12-25(30)27-13-15-33-21-9-5-4-6-10-21)26(31)23-17-24(34-28-23)20-8-7-11-22(16-20)32-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,27,30)
InChIKeyYLYKTHVIQPEXBU-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.03
Rot. Bonds12

About 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 46111906) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID46111906
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCC(=O)NCCOc3ccccc3)CC(C)C)no2)c1
InChIInChI=1S/C26H31N3O5/c1-19(2)18-29(14-12-25(30)27-13-15-33-21-9-5-4-6-10-21)26(31)23-17-24(34-28-23)20-8-7-11-22(16-20)32-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,27,30)
InChIKeyYLYKTHVIQPEXBU-UHFFFAOYSA-N
XLogP4.03
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 90488192
5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 93139917
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 46111894
5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51070099
N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070141
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[3-(4-fluorophenoxy)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313468
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
CID 113052545
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 46111906) is 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCOc3ccccc3)CC(C)C)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YLYKTHVIQPEXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-19(2)18-29(14-12-25(30)27-13-15-33-21-9-5-4-6-10-21)26(31)23-17-24(34-28-23)20-8-7-11-22(16-20)32-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,27,30).
What are the key properties of 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46111906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).