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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Related Compounds

3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole
CID 153521552
3-[difluoro(quinolin-6-yl)methyl]-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57690956
5-(1-methylpyrazol-4-yl)-3-[(1R)-1-quinolin-6-ylethyl]-[1,2]oxazolo[5,4-b]pyridine
CID 57691144
3-[Difluoro(quinolin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57691324
3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
CID 95857692
3-methyl-7-(1H-pyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134806635
3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
CID 155553629
4-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]-3,5-dimethyl-1,2-oxazole
CID 137643573
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]prop-2-enamide
CID 126568790
7-fluoro-2-(1-isopropyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]quinoline-4-carboxamide
CID 46999758
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 56883975
1-[5-chloro-1-methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazol-4-yl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 74250660

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).