N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

C20H20N2O2 — CID 17011912

IUPACN,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1C
InChIInChI=1S/C20H20N2O2/c1-12-5-7-16(9-14(12)3)19-11-18(22-24-19)20(23)21-17-8-6-13(2)15(4)10-17/h5-11H,1-4H3,(H,21,23)
InChIKeyPEDSJAKTNARBQE-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.83
Rot. Bonds3

About N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17011912) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17011912
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1C
InChIInChI=1S/C20H20N2O2/c1-12-5-7-16(9-14(12)3)19-11-18(22-24-19)20(23)21-17-8-6-13(2)15(4)10-17/h5-11H,1-4H3,(H,21,23)
InChIKeyPEDSJAKTNARBQE-UHFFFAOYSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011665
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35672809
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 17011926
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011674
5-(3,4-dimethylphenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043262
5-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011671
N-[4-methyl-3-(methylsulfamoyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39441482

Frequently Asked Questions

What is the IUPAC name of N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (CID 17011912) is N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1C.
What is the InChIKey of N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PEDSJAKTNARBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-5-7-16(9-14(12)3)19-11-18(22-24-19)20(23)21-17-8-6-13(2)15(4)10-17/h5-11H,1-4H3,(H,21,23).
What are the key properties of N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).