N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C26H21N3O3 — CID 60578037

IUPACN-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C26H21N3O3/c1-18-15-22(31-21-9-7-19(16-27)8-10-21)11-12-23(18)29-25(30)13-14-26-28-17-24(32-26)20-5-3-2-4-6-20/h2-12,15,17H,13-14H2,1H3,(H,29,30)
InChIKeyAJURSYRPNGBOJF-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.89
Rot. Bonds7

About N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 60578037) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID60578037
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C26H21N3O3/c1-18-15-22(31-21-9-7-19(16-27)8-10-21)11-12-23(18)29-25(30)13-14-26-28-17-24(32-26)20-5-3-2-4-6-20/h2-12,15,17H,13-14H2,1H3,(H,29,30)
InChIKeyAJURSYRPNGBOJF-UHFFFAOYSA-N
XLogP5.89
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837843
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
CID 47093142
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 95047586
N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784752
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 60578037) is N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is AJURSYRPNGBOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-18-15-22(31-21-9-7-19(16-27)8-10-21)11-12-23(18)29-25(30)13-14-26-28-17-24(32-26)20-5-3-2-4-6-20/h2-12,15,17H,13-14H2,1H3,(H,29,30).
What are the key properties of N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 423.47 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 60578037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).