3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C20H18ClFN2O2 — CID 52705090

IUPAC3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C20H18ClFN2O2/c1-11-8-12(2)10-14(9-11)24(4)20(25)17-13(3)26-23-19(17)18-15(21)6-5-7-16(18)22/h5-10H,1-4H3
InChIKeyQSYYZQNHXUWMLP-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.34
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 52705090) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID52705090
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C20H18ClFN2O2/c1-11-8-12(2)10-14(9-11)24(4)20(25)17-13(3)26-23-19(17)18-15(21)6-5-7-16(18)22/h5-10H,1-4H3
InChIKeyQSYYZQNHXUWMLP-UHFFFAOYSA-N
XLogP5.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 34755281
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-propyl-1,2-oxazole-4-carboxamide
CID 110887164
3-(2-chloro-6-methylphenyl)-N-(3-ethynylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 90352685
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
3-(2-chloro-6-fluorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34546564
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39966491
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 52705090) is 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QSYYZQNHXUWMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-11-8-12(2)10-14(9-11)24(4)20(25)17-13(3)26-23-19(17)18-15(21)6-5-7-16(18)22/h5-10H,1-4H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 372.83 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 52705090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).