5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole

C18H16Cl2FNO2 — CID 15051673

IUPAC5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2Cl)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H16Cl2FNO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3
InChIKeyOXLIMKZHVIAEDY-UHFFFAOYSA-N
MW368.24 g/mol
LogP5.23
Rot. Bonds5

About 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole

5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole (PubChem CID 15051673) has the molecular formula C18H16Cl2FNO2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole
PubChem CID15051673
Molecular FormulaC18H16Cl2FNO2
Molecular Weight368.24 g/mol
Exact Mass367.05
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2Cl)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H16Cl2FNO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3
InChIKeyOXLIMKZHVIAEDY-UHFFFAOYSA-N
XLogP5.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.24
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole (CID 15051673) is 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole is CC1(COCc2c(F)cccc2Cl)CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole?
The InChIKey is OXLIMKZHVIAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole?
5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole has a molecular weight of 368.24 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 15051673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).