3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide

C26H20ClN3O4 — CID 47093142

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C26H20ClN3O4/c1-32-23-14-17(15-28)2-11-22(23)33-21-9-7-20(8-10-21)30-25(31)12-13-26-29-16-24(34-26)18-3-5-19(27)6-4-18/h2-11,14,16H,12-13H2,1H3,(H,30,31)
InChIKeyFPTLJANEEJEMTI-UHFFFAOYSA-N
MW473.92 g/mol
LogP6.24
Rot. Bonds8

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide (PubChem CID 47093142) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
PubChem CID47093142
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C26H20ClN3O4/c1-32-23-14-17(15-28)2-11-22(23)33-21-9-7-20(8-10-21)30-25(31)12-13-26-29-16-24(34-26)18-3-5-19(27)6-4-18/h2-11,14,16H,12-13H2,1H3,(H,30,31)
InChIKeyFPTLJANEEJEMTI-UHFFFAOYSA-N
XLogP6.24
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.92
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
(2-chloro-4-cyanophenyl) 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 16601271
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581261
N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60578037
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide
CID 60585877
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798140
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 52850188
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide (CID 47093142) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide is COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide?
The InChIKey is FPTLJANEEJEMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c1-32-23-14-17(15-28)2-11-22(23)33-21-9-7-20(8-10-21)30-25(31)12-13-26-29-16-24(34-26)18-3-5-19(27)6-4-18/h2-11,14,16H,12-13H2,1H3,(H,30,31).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide has a molecular weight of 473.92 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide is sourced from PubChem (CID 47093142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).