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

C18H13F3N4O — CID 29091357

IUPAC6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1
InChIInChI=1S/C18H13F3N4O/c1-2-25-10-12(9-22-25)14-8-13(18(19,20)21)15-16(24-26-17(15)23-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyMPADOMTXWWCLAP-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.79
Rot. Bonds3

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

6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091357) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091357
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1
InChIInChI=1S/C18H13F3N4O/c1-2-25-10-12(9-22-25)14-8-13(18(19,20)21)15-16(24-26-17(15)23-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyMPADOMTXWWCLAP-UHFFFAOYSA-N
XLogP4.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091357) is 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is CCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is MPADOMTXWWCLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-2-25-10-12(9-22-25)14-8-13(18(19,20)21)15-16(24-26-17(15)23-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 358.32 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-3-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).