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

C17H11BrF3NO — CID 10691278

IUPAC4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H11BrF3NO/c1-10-15(11-4-8-14(18)9-5-11)22-16(23-10)12-2-6-13(7-3-12)17(19,20)21/h2-9H,1H3
InChIKeyWGOSQQXYIXCQKW-UHFFFAOYSA-N
MW382.18 g/mol
LogP6.10
Rot. Bonds2

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

4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 10691278) has the molecular formula C17H11BrF3NO and a molecular weight of 382.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID10691278
Molecular FormulaC17H11BrF3NO
Molecular Weight382.18 g/mol
Exact Mass381.00
IUPAC Name4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H11BrF3NO/c1-10-15(11-4-8-14(18)9-5-11)22-16(23-10)12-2-6-13(7-3-12)17(19,20)21/h2-9H,1H3
InChIKeyWGOSQQXYIXCQKW-UHFFFAOYSA-N
XLogP6.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.18
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 10691278) is 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is WGOSQQXYIXCQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3NO/c1-10-15(11-4-8-14(18)9-5-11)22-16(23-10)12-2-6-13(7-3-12)17(19,20)21/h2-9H,1H3.
What are the key properties of 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 382.18 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 10691278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).