5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide

C24H20N2O5 — CID 6489736

IUPAC5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H20N2O5/c1-28-20-13-8-16(14-21(20)29-2)23-22(25-15-30-23)24(27)26-17-9-11-19(12-10-17)31-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,27)
InChIKeyLBKAOXZXVLAHSX-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.40
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide

5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 6489736) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID6489736
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H20N2O5/c1-28-20-13-8-16(14-21(20)29-2)23-22(25-15-30-23)24(27)26-17-9-11-19(12-10-17)31-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,27)
InChIKeyLBKAOXZXVLAHSX-UHFFFAOYSA-N
XLogP5.40
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(3,5-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963825
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963848
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840
5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468364
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide (CID 6489736) is 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LBKAOXZXVLAHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-28-20-13-8-16(14-21(20)29-2)23-22(25-15-30-23)24(27)26-17-9-11-19(12-10-17)31-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 6489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).