3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole

C17H9F4N5O — CID 123324387

IUPAC3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cnccc1-c1cc(-c2cnn(-c3ccncc3)c2C(F)(F)F)on1
InChIInChI=1S/C17H9F4N5O/c18-13-9-23-6-3-11(13)14-7-15(27-25-14)12-8-24-26(16(12)17(19,20)21)10-1-4-22-5-2-10/h1-9H
InChIKeyDAYWDWGZZRZYFI-UHFFFAOYSA-N
MW375.29 g/mol
LogP4.14
Rot. Bonds3

About 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole

3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 123324387) has the molecular formula C17H9F4N5O and a molecular weight of 375.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID123324387
Molecular FormulaC17H9F4N5O
Molecular Weight375.29 g/mol
Exact Mass375.07
IUPAC Name3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFc1cnccc1-c1cc(-c2cnn(-c3ccncc3)c2C(F)(F)F)on1
InChIInChI=1S/C17H9F4N5O/c18-13-9-23-6-3-11(13)14-7-15(27-25-14)12-8-24-26(16(12)17(19,20)21)10-1-4-22-5-2-10/h1-9H
InChIKeyDAYWDWGZZRZYFI-UHFFFAOYSA-N
XLogP4.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylic acid
CID 123598377
3-(2-chloro-6-fluorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
CID 141345530
3-(2-chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
CID 123684853
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2808028
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
ethyl 4-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 123885525
O-methyl 3-(2-chloro-6-fluorophenyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carbothioate
CID 123421303
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[(1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
CID 139014715
6-(3-fluoro-4-pyridinyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716896
ethyl 1-[4-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 112845415
tert-butyl N-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213488

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (CID 123324387) is 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is Fc1cnccc1-c1cc(-c2cnn(-c3ccncc3)c2C(F)(F)F)on1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is DAYWDWGZZRZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N5O/c18-13-9-23-6-3-11(13)14-7-15(27-25-14)12-8-24-26(16(12)17(19,20)21)10-1-4-22-5-2-10/h1-9H.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 375.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-5-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 123324387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).