N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C22H21N3O2 — CID 108784752

IUPACN-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccccc3C#N)o2)cc1
InChIInChI=1S/C22H21N3O2/c1-15(2)16-7-9-17(10-8-16)20-14-24-22(27-20)12-11-21(26)25-19-6-4-3-5-18(19)13-23/h3-10,14-15H,11-12H2,1-2H3,(H,25,26)
InChIKeySPSNYWXQLQUNPV-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.91
Rot. Bonds6

About N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784752) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID108784752
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccccc3C#N)o2)cc1
InChIInChI=1S/C22H21N3O2/c1-15(2)16-7-9-17(10-8-16)20-14-24-22(27-20)12-11-21(26)25-19-6-4-3-5-18(19)13-23/h3-10,14-15H,11-12H2,1-2H3,(H,25,26)
InChIKeySPSNYWXQLQUNPV-UHFFFAOYSA-N
XLogP4.91
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784875
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 108798031
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
5-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]benzene-1,3-dicarboxylic acid
CID 108784921
N-(6-methyl-2-pyridinyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798165
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-[4-(diethylamino)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784918
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784946
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784752) is N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccccc3C#N)o2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is SPSNYWXQLQUNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(2)16-7-9-17(10-8-16)20-14-24-22(27-20)12-11-21(26)25-19-6-4-3-5-18(19)13-23/h3-10,14-15H,11-12H2,1-2H3,(H,25,26).
What are the key properties of N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).