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

C20H18ClFN2O2 — CID 118753306

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1-c1noc(C)c1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-11-6-4-7-12(2)17(11)19-18(13(3)26-24-19)20(25)23-10-14-15(21)8-5-9-16(14)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyKQZFKLWETYOLPH-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.99
Rot. Bonds4

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

N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118753306) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID118753306
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1-c1noc(C)c1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-11-6-4-7-12(2)17(11)19-18(13(3)26-24-19)20(25)23-10-14-15(21)8-5-9-16(14)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyKQZFKLWETYOLPH-UHFFFAOYSA-N
XLogP4.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chloro-6-fluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33305648
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822
N-(3-amino-2-methylpropyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119996847
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71890892
3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46474617
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 17409873

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 118753306) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cccc(C)c1-c1noc(C)c1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KQZFKLWETYOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-11-6-4-7-12(2)17(11)19-18(13(3)26-24-19)20(25)23-10-14-15(21)8-5-9-16(14)22/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 372.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118753306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).