3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide

C27H25N3O2 — CID 88989749

IUPAC3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(C2=NOC(C)(c3ccccc3)C2)cc(-c2ccccc2C#N)c1
InChIInChI=1S/C27H25N3O2/c1-18(2)29-26(31)22-14-20(24-12-8-7-9-19(24)17-28)13-21(15-22)25-16-27(3,32-30-25)23-10-5-4-6-11-23/h4-15,18H,16H2,1-3H3,(H,29,31)
InChIKeySXMUNYULHRQUIL-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.40
Rot. Bonds5

About 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide

3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (PubChem CID 88989749) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
PubChem CID88989749
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(C2=NOC(C)(c3ccccc3)C2)cc(-c2ccccc2C#N)c1
InChIInChI=1S/C27H25N3O2/c1-18(2)29-26(31)22-14-20(24-12-8-7-9-19(24)17-28)13-21(15-22)25-16-27(3,32-30-25)23-10-5-4-6-11-23/h4-15,18H,16H2,1-3H3,(H,29,31)
InChIKeySXMUNYULHRQUIL-UHFFFAOYSA-N
XLogP5.40
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide (CID 88989749) is 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(C2=NOC(C)(c3ccccc3)C2)cc(-c2ccccc2C#N)c1.
What is the InChIKey of 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
The InChIKey is SXMUNYULHRQUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18(2)29-26(31)22-14-20(24-12-8-7-9-19(24)17-28)13-21(15-22)25-16-27(3,32-30-25)23-10-5-4-6-11-23/h4-15,18H,16H2,1-3H3,(H,29,31).
What are the key properties of 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide?
3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide has a molecular weight of 423.52 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 88989749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).