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

C18H16N2O4 — CID 1093725

IUPACN-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-9-8-13(10-17(15)23-2)19-18(21)14-11-16(24-20-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,21)
InChIKeyDXRBPXGFRWFDEY-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.61
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 1093725) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID1093725
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-9-8-13(10-17(15)23-2)19-18(21)14-11-16(24-20-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,21)
InChIKeyDXRBPXGFRWFDEY-UHFFFAOYSA-N
XLogP3.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093852
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5017077
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 1093725) is N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is DXRBPXGFRWFDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-15-9-8-13(10-17(15)23-2)19-18(21)14-11-16(24-20-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.61, 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-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).