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

C20H19ClFNO2 — CID 22088050

IUPAC2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole
SMILESCc1nc(-c2c(F)cccc2Cl)oc1COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H19ClFNO2/c1-12(2)14-7-9-15(10-8-14)24-11-18-13(3)23-20(25-18)19-16(21)5-4-6-17(19)22/h4-10,12H,11H2,1-3H3
InChIKeyCYHQXTRMTUWAKT-UHFFFAOYSA-N
MW359.83 g/mol
LogP6.14
Rot. Bonds5

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

2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole (PubChem CID 22088050) has the molecular formula C20H19ClFNO2 and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole
PubChem CID22088050
Molecular FormulaC20H19ClFNO2
Molecular Weight359.83 g/mol
Exact Mass359.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole
SMILESCc1nc(-c2c(F)cccc2Cl)oc1COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H19ClFNO2/c1-12(2)14-7-9-15(10-8-14)24-11-18-13(3)23-20(25-18)19-16(21)5-4-6-17(19)22/h4-10,12H,11H2,1-3H3
InChIKeyCYHQXTRMTUWAKT-UHFFFAOYSA-N
XLogP6.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 56.14
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-propan-2-ylphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole (CID 22088050) is 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole is Cc1nc(-c2c(F)cccc2Cl)oc1COc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole?
The InChIKey is CYHQXTRMTUWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO2/c1-12(2)14-7-9-15(10-8-14)24-11-18-13(3)23-20(25-18)19-16(21)5-4-6-17(19)22/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole?
2-(2-chloro-6-fluorophenyl)-4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3-oxazole has a molecular weight of 359.83 g/mol, XLogP of 6.14, 5 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-propan-2-ylphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 22088050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).