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

C21H19N3O2 — CID 134023402

IUPACN-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H19N3O2/c1-2-12-24(15-17-10-8-16(14-22)9-11-17)21(25)19-13-20(26-23-19)18-6-4-3-5-7-18/h3-11,13H,2,12,15H2,1H3
InChIKeyUAVOQUZMMXKNHG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.27
Rot. Bonds6

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

N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 134023402) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID134023402
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H19N3O2/c1-2-12-24(15-17-10-8-16(14-22)9-11-17)21(25)19-13-20(26-23-19)18-6-4-3-5-7-18/h3-11,13H,2,12,15H2,1H3
InChIKeyUAVOQUZMMXKNHG-UHFFFAOYSA-N
XLogP4.27
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide (CID 134023402) is N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is UAVOQUZMMXKNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-12-24(15-17-10-8-16(14-22)9-11-17)21(25)19-13-20(26-23-19)18-6-4-3-5-7-18/h3-11,13H,2,12,15H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide?
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134023402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).