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

C18H15ClFNO2 — CID 21334465

IUPAC2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1ccc(OCc2oc(-c3c(F)cccc3Cl)nc2C)cc1
InChIInChI=1S/C18H15ClFNO2/c1-11-6-8-13(9-7-11)22-10-16-12(2)21-18(23-16)17-14(19)4-3-5-15(17)20/h3-9H,10H2,1-2H3
InChIKeyKNVNRAIDBGQQLF-UHFFFAOYSA-N
MW331.77 g/mol
LogP5.33
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole (PubChem CID 21334465) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole
PubChem CID21334465
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1ccc(OCc2oc(-c3c(F)cccc3Cl)nc2C)cc1
InChIInChI=1S/C18H15ClFNO2/c1-11-6-8-13(9-7-11)22-10-16-12(2)21-18(23-16)17-14(19)4-3-5-15(17)20/h3-9H,10H2,1-2H3
InChIKeyKNVNRAIDBGQQLF-UHFFFAOYSA-N
XLogP5.33
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.77
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole (CID 21334465) is 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole is Cc1ccc(OCc2oc(-c3c(F)cccc3Cl)nc2C)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole?
The InChIKey is KNVNRAIDBGQQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c1-11-6-8-13(9-7-11)22-10-16-12(2)21-18(23-16)17-14(19)4-3-5-15(17)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole?
2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole has a molecular weight of 331.77 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-methylphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 21334465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).