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

C18H17ClFNO2 — CID 15051643

IUPAC5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2Cl)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17ClFNO2/c1-18(10-17(21-23-18)13-6-3-2-4-7-13)12-22-11-14-15(19)8-5-9-16(14)20/h2-9H,10-12H2,1H3
InChIKeyAVUWHARSOCSCNN-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.58
Rot. Bonds5

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

5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole (PubChem CID 15051643) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole
PubChem CID15051643
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole
SMILESCC1(COCc2c(F)cccc2Cl)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17ClFNO2/c1-18(10-17(21-23-18)13-6-3-2-4-7-13)12-22-11-14-15(19)8-5-9-16(14)20/h2-9H,10-12H2,1H3
InChIKeyAVUWHARSOCSCNN-UHFFFAOYSA-N
XLogP4.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.58
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]-5-methyl-3-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole (CID 15051643) is 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole is CC1(COCc2c(F)cccc2Cl)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The InChIKey is AVUWHARSOCSCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c1-18(10-17(21-23-18)13-6-3-2-4-7-13)12-22-11-14-15(19)8-5-9-16(14)20/h2-9H,10-12H2,1H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
5-[(2-chloro-6-fluorophenyl)methoxymethyl]-5-methyl-3-phenyl-4H-1,2-oxazole has a molecular weight of 333.79 g/mol, XLogP of 4.58, 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]-5-methyl-3-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 15051643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).