2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole

C18H11F6NO — CID 57159559

IUPAC2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H11F6NO/c1-10-25-15(11-2-6-13(7-3-11)17(19,20)21)16(26-10)12-4-8-14(9-5-12)18(22,23)24/h2-9H,1H3
InChIKeyVQFOPENRUWCRSU-UHFFFAOYSA-N
MW371.28 g/mol
LogP6.35
Rot. Bonds2

About 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole

2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 57159559) has the molecular formula C18H11F6NO and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID57159559
Molecular FormulaC18H11F6NO
Molecular Weight371.28 g/mol
Exact Mass371.07
IUPAC Name2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H11F6NO/c1-10-25-15(11-2-6-13(7-3-11)17(19,20)21)16(26-10)12-4-8-14(9-5-12)18(22,23)24/h2-9H,1H3
InChIKeyVQFOPENRUWCRSU-UHFFFAOYSA-N
XLogP6.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 57159559) is 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is VQFOPENRUWCRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO/c1-10-25-15(11-2-6-13(7-3-11)17(19,20)21)16(26-10)12-4-8-14(9-5-12)18(22,23)24/h2-9H,1H3.
What are the key properties of 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 371.28 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 57159559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).