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

C20H18ClFN2O3 — CID 26370009

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1cccc(OCCNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C20H18ClFN2O3/c1-12-5-3-6-14(11-12)26-10-9-23-20(25)17-13(2)27-24-19(17)18-15(21)7-4-8-16(18)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyOENYGAZSKWZREC-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.56
Rot. Bonds6

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

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 26370009) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID26370009
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1cccc(OCCNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C20H18ClFN2O3/c1-12-5-3-6-14(11-12)26-10-9-23-20(25)17-13(2)27-24-19(17)18-15(21)7-4-8-16(18)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyOENYGAZSKWZREC-UHFFFAOYSA-N
XLogP4.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide (CID 26370009) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide is Cc1cccc(OCCNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OENYGAZSKWZREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c1-12-5-3-6-14(11-12)26-10-9-23-20(25)17-13(2)27-24-19(17)18-15(21)7-4-8-16(18)22/h3-8,11H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 388.83 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26370009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).