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

C17H8Cl2F3N5O — CID 123669739

IUPAC3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1c(-c2cc(-c3c(Cl)cncc3Cl)no2)cnn1-c1cccnc1
InChIInChI=1S/C17H8Cl2F3N5O/c18-11-7-24-8-12(19)15(11)13-4-14(28-26-13)10-6-25-27(16(10)17(20,21)22)9-2-1-3-23-5-9/h1-8H
InChIKeyOXCIITMFIGXXRI-UHFFFAOYSA-N
MW426.19 g/mol
LogP5.31
Rot. Bonds3

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

3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 123669739) has the molecular formula C17H8Cl2F3N5O and a molecular weight of 426.19 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID123669739
Molecular FormulaC17H8Cl2F3N5O
Molecular Weight426.19 g/mol
Exact Mass425.01
IUPAC Name3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole
SMILESFC(F)(F)c1c(-c2cc(-c3c(Cl)cncc3Cl)no2)cnn1-c1cccnc1
InChIInChI=1S/C17H8Cl2F3N5O/c18-11-7-24-8-12(19)15(11)13-4-14(28-26-13)10-6-25-27(16(10)17(20,21)22)9-2-1-3-23-5-9/h1-8H
InChIKeyOXCIITMFIGXXRI-UHFFFAOYSA-N
XLogP5.31
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.19
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole (CID 123669739) is 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is FC(F)(F)c1c(-c2cc(-c3c(Cl)cncc3Cl)no2)cnn1-c1cccnc1.
What is the InChIKey of 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is OXCIITMFIGXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2F3N5O/c18-11-7-24-8-12(19)15(11)13-4-14(28-26-13)10-6-25-27(16(10)17(20,21)22)9-2-1-3-23-5-9/h1-8H.
What are the key properties of 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole?
3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 426.19 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-pyridinyl)-5-[1-pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 123669739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).