N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H20N2O3 — CID 19493638

IUPACN-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C19H20N2O3/c1-12-7-6-8-13(2)18(12)20-19(22)17-11-15(21-24-17)14-9-4-5-10-16(14)23-3/h4-10,17H,11H2,1-3H3,(H,20,22)
InChIKeyCJHUDLJKBLMNBA-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.44
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493638) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493638
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C19H20N2O3/c1-12-7-6-8-13(2)18(12)20-19(22)17-11-15(21-24-17)14-9-4-5-10-16(14)23-3/h4-10,17H,11H2,1-3H3,(H,20,22)
InChIKeyCJHUDLJKBLMNBA-UHFFFAOYSA-N
XLogP3.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493638) is N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C(=O)Nc2c(C)cccc2C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CJHUDLJKBLMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-6-8-13(2)18(12)20-19(22)17-11-15(21-24-17)14-9-4-5-10-16(14)23-3/h4-10,17H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).