5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide

C18H16N2O3 — CID 20963550

IUPAC5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H16N2O3/c1-12-5-3-4-6-15(12)20-18(21)16-17(23-11-19-16)13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,20,21)
InChIKeyVYKBCSTXIJUZTH-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.91
Rot. Bonds4

About 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 20963550) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID20963550
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H16N2O3/c1-12-5-3-4-6-15(12)20-18(21)16-17(23-11-19-16)13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,20,21)
InChIKeyVYKBCSTXIJUZTH-UHFFFAOYSA-N
XLogP3.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534
N-(3-fluoro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963578
N-(2,4-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963654
5-(4-methoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 53204394
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57401810
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589
5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
N-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963718
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide (CID 20963550) is 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VYKBCSTXIJUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-5-3-4-6-15(12)20-18(21)16-17(23-11-19-16)13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,20,21).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).