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

C19H18N2O4 — CID 2366225

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1OC
InChIInChI=1S/C19H18N2O4/c1-12-17(18(21-25-12)13-7-5-4-6-8-13)19(22)20-14-9-10-15(23-2)16(11-14)24-3/h4-11H,1-3H3,(H,20,22)
InChIKeyKFEMWMVTSJFIRT-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.92
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2366225) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2366225
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1OC
InChIInChI=1S/C19H18N2O4/c1-12-17(18(21-25-12)13-7-5-4-6-8-13)19(22)20-14-9-10-15(23-2)16(11-14)24-3/h4-11H,1-3H3,(H,20,22)
InChIKeyKFEMWMVTSJFIRT-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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Related Compounds

3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33127580
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26421741
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2366225) is N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is KFEMWMVTSJFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-17(18(21-25-12)13-7-5-4-6-8-13)19(22)20-14-9-10-15(23-2)16(11-14)24-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-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-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2366225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).