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

C18H16N2O3 — CID 46417466

IUPAC5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(C)c2)no1
InChIInChI=1S/C18H16N2O3/c1-12-6-5-7-13(10-12)19-18(21)15-11-17(23-20-15)14-8-3-4-9-16(14)22-2/h3-11H,1-2H3,(H,19,21)
InChIKeyNVVJXLMKMZMCRC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.91
Rot. Bonds4

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

5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46417466) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46417466
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(C)c2)no1
InChIInChI=1S/C18H16N2O3/c1-12-6-5-7-13(10-12)19-18(21)15-11-17(23-20-15)14-8-3-4-9-16(14)22-2/h3-11H,1-2H3,(H,19,21)
InChIKeyNVVJXLMKMZMCRC-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide (CID 46417466) is 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cccc(C)c2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NVVJXLMKMZMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-5-7-13(10-12)19-18(21)15-11-17(23-20-15)14-8-3-4-9-16(14)22-2/h3-11H,1-2H3,(H,19,21).
What are the key properties of 5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-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-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).