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

C19H17FN2O2 — CID 46265526

IUPACN-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)ccc1F
InChIInChI=1S/C19H17FN2O2/c1-11-5-4-6-16(13(11)3)21-19(23)17-10-18(24-22-17)14-7-8-15(20)12(2)9-14/h4-10H,1-3H3,(H,21,23)
InChIKeyDEEAPYNWTARMER-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.66
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46265526) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46265526
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)ccc1F
InChIInChI=1S/C19H17FN2O2/c1-11-5-4-6-16(13(11)3)21-19(23)17-10-18(24-22-17)14-7-8-15(20)12(2)9-14/h4-10H,1-3H3,(H,21,23)
InChIKeyDEEAPYNWTARMER-UHFFFAOYSA-N
XLogP4.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.66
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
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 51064558
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
N,5-bis(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 52904677
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 167670924

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide (CID 46265526) is N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)ccc1F.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DEEAPYNWTARMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-5-4-6-16(13(11)3)21-19(23)17-10-18(24-22-17)14-7-8-15(20)12(2)9-14/h4-10H,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46265526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).