3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole

C17H11F3N4O — CID 23537437

IUPAC3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole
SMILESCc1cc(-c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)on1
InChIInChI=1S/C17H11F3N4O/c1-9-6-15(25-24-9)11-4-5-21-14-3-2-10(7-12(11)14)13-8-22-23-16(13)17(18,19)20/h2-8H,1H3,(H,22,23)
InChIKeyFCUWSVLSVLHYOR-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.61
Rot. Bonds2

About 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole

3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole (PubChem CID 23537437) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole
PubChem CID23537437
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole
SMILESCc1cc(-c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)on1
InChIInChI=1S/C17H11F3N4O/c1-9-6-15(25-24-9)11-4-5-21-14-3-2-10(7-12(11)14)13-8-22-23-16(13)17(18,19)20/h2-8H,1H3,(H,22,23)
InChIKeyFCUWSVLSVLHYOR-UHFFFAOYSA-N
XLogP4.61
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole (CID 23537437) is 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole is Cc1cc(-c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)on1.
What is the InChIKey of 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole?
The InChIKey is FCUWSVLSVLHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c1-9-6-15(25-24-9)11-4-5-21-14-3-2-10(7-12(11)14)13-8-22-23-16(13)17(18,19)20/h2-8H,1H3,(H,22,23).
What are the key properties of 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole?
3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole has a molecular weight of 344.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]-1,2-oxazole is sourced from PubChem (CID 23537437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).