N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H23N3O4 — CID 2810836

IUPACN-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(OCCCNC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C22H23N3O4/c1-15-20(21(25-29-15)17-7-4-3-5-8-17)22(27)23-13-6-14-28-19-11-9-18(10-12-19)24-16(2)26/h3-5,7-12H,6,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZCKNGPBTHGTDDO-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.81
Rot. Bonds8

About N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2810836) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2810836
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(OCCCNC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C22H23N3O4/c1-15-20(21(25-29-15)17-7-4-3-5-8-17)22(27)23-13-6-14-28-19-11-9-18(10-12-19)24-16(2)26/h3-5,7-12H,6,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZCKNGPBTHGTDDO-UHFFFAOYSA-N
XLogP3.81
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2810836) is N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CC(=O)Nc1ccc(OCCCNC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZCKNGPBTHGTDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-20(21(25-29-15)17-7-4-3-5-8-17)22(27)23-13-6-14-28-19-11-9-18(10-12-19)24-16(2)26/h3-5,7-12H,6,13-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2810836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).