3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

C24H13F7N4O — CID 11670647

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESFc1ccccc1-c1nc2ccn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1
InChIInChI=1S/C24H13F7N4O/c25-18-4-2-1-3-16(18)22-32-19-7-8-35(12-21(19)33-22)11-14-10-20(34-36-14)15-6-5-13(23(26,27)28)9-17(15)24(29,30)31/h1-10,12H,11H2
InChIKeyORVJNZUEMUKFGW-UHFFFAOYSA-N
MW506.38 g/mol
LogP6.93
Rot. Bonds4

About 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (PubChem CID 11670647) has the molecular formula C24H13F7N4O and a molecular weight of 506.38 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
PubChem CID11670647
Molecular FormulaC24H13F7N4O
Molecular Weight506.38 g/mol
Exact Mass506.10
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESFc1ccccc1-c1nc2ccn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1
InChIInChI=1S/C24H13F7N4O/c25-18-4-2-1-3-16(18)22-32-19-7-8-35(12-21(19)33-22)11-14-10-20(34-36-14)15-6-5-13(23(26,27)28)9-17(15)24(29,30)31/h1-10,12H,11H2
InChIKeyORVJNZUEMUKFGW-UHFFFAOYSA-N
XLogP6.93
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.38
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (CID 11670647) is 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is Fc1ccccc1-c1nc2ccn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The InChIKey is ORVJNZUEMUKFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F7N4O/c25-18-4-2-1-3-16(18)22-32-19-7-8-35(12-21(19)33-22)11-14-10-20(34-36-14)15-6-5-13(23(26,27)28)9-17(15)24(29,30)31/h1-10,12H,11H2.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole has a molecular weight of 506.38 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 11670647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).