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

C19H18N2O4 — CID 808077

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

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

N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 808077) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID808077
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)c1
InChIInChI=1S/C19H18N2O4/c1-12-17(18(21-25-12)13-7-5-4-6-8-13)19(22)20-15-10-9-14(23-2)11-16(15)24-3/h4-11H,1-3H3,(H,20,22)
InChIKeyNBOBTKOZMVUXSW-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

Isoxaben
CID 73672
3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
N-(2,4-Dimethoxyphenyl)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 5308940
2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 9984681
2-(3-Dodecyl-isoxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10075862
2-(3-Dodecyl-isoxazol-5-yl)-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10695292
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1246663
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 1246987

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 808077) is N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NBOBTKOZMVUXSW-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)20-15-10-9-14(23-2)11-16(15)24-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2,4-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-(2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 808077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).