6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C18H13F3N4O — CID 29091198

IUPAC6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1c(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cnn1C
InChIInChI=1S/C18H13F3N4O/c1-10-12(9-22-25(10)2)14-8-13(18(19,20)21)15-16(24-26-17(15)23-14)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyBYBCHVSNZFPRDQ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.62
Rot. Bonds2

About 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091198) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091198
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1c(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cnn1C
InChIInChI=1S/C18H13F3N4O/c1-10-12(9-22-25(10)2)14-8-13(18(19,20)21)15-16(24-26-17(15)23-14)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyBYBCHVSNZFPRDQ-UHFFFAOYSA-N
XLogP4.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091198) is 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1c(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cnn1C.
What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is BYBCHVSNZFPRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-12(9-22-25(10)2)14-8-13(18(19,20)21)15-16(24-26-17(15)23-14)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 358.32 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).