N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide

C19H17ClN2O2 — CID 46232569

IUPACN-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12-4-6-14(7-5-12)18-17(13(2)24-21-18)19(23)22(3)16-10-8-15(20)9-11-16/h4-11H,1-3H3
InChIKeyIQJLNEYWEJANQV-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.89
Rot. Bonds3

About N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide

N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 46232569) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID46232569
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12-4-6-14(7-5-12)18-17(13(2)24-21-18)19(23)22(3)16-10-8-15(20)9-11-16/h4-11H,1-3H3
InChIKeyIQJLNEYWEJANQV-UHFFFAOYSA-N
XLogP4.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
2-bromo-1-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741259
3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52705090
3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
CID 46232411
3-(4-chlorophenyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46975659
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232628
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 13051603
5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 99842444
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232657
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 46232569) is N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is IQJLNEYWEJANQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-4-6-14(7-5-12)18-17(13(2)24-21-18)19(23)22(3)16-10-8-15(20)9-11-16/h4-11H,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).