5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H8F5N5O — CID 19326281

IUPAC5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)n2)cc1
InChIInChI=1S/C16H8F5N5O/c17-8-3-1-7(2-4-8)15-23-16(27-25-15)10-6-12-22-9(13(18)19)5-11(14(20)21)26(12)24-10/h1-6,13-14H
InChIKeyMSVNPZCSLWOTDV-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.46
Rot. Bonds4

About 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326281) has the molecular formula C16H8F5N5O and a molecular weight of 381.26 g/mol. Its IUPAC name is 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326281
Molecular FormulaC16H8F5N5O
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)n2)cc1
InChIInChI=1S/C16H8F5N5O/c17-8-3-1-7(2-4-8)15-23-16(27-25-15)10-6-12-22-9(13(18)19)5-11(14(20)21)26(12)24-10/h1-6,13-14H
InChIKeyMSVNPZCSLWOTDV-UHFFFAOYSA-N
XLogP4.46
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326281) is 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3cc4nc(C(F)F)cc(C(F)F)n4n3)n2)cc1.
What is the InChIKey of 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is MSVNPZCSLWOTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F5N5O/c17-8-3-1-7(2-4-8)15-23-16(27-25-15)10-6-12-22-9(13(18)19)5-11(14(20)21)26(12)24-10/h1-6,13-14H.
What are the key properties of 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 381.26 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).