N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C19H18N2O4 — CID 2540266

IUPACN-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C19H18N2O4/c1-12-17(21-19(25-12)13-7-5-4-6-8-13)18(22)20-15-11-14(23-2)9-10-16(15)24-3/h4-11H,1-3H3,(H,20,22)
InChIKeyPYEZDTLPKKOCQG-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.92
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 2540266) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID2540266
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C19H18N2O4/c1-12-17(21-19(25-12)13-7-5-4-6-8-13)18(22)20-15-11-14(23-2)9-10-16(15)24-3/h4-11H,1-3H3,(H,20,22)
InChIKeyPYEZDTLPKKOCQG-UHFFFAOYSA-N
XLogP3.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 2540266) is N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is PYEZDTLPKKOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-17(21-19(25-12)13-7-5-4-6-8-13)18(22)20-15-11-14(23-2)9-10-16(15)24-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2540266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).