5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole

C14H7ClF3N5OS — CID 69088651

IUPAC5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc2c(-c3noc(-c4sccc4Cl)n3)cnn12
InChIInChI=1S/C14H7ClF3N5OS/c1-6-4-9(14(16,17)18)20-12-7(5-19-23(6)12)11-21-13(24-22-11)10-8(15)2-3-25-10/h2-5H,1H3
InChIKeyLGMOEPDNIWCBEF-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.49
Rot. Bonds2

About 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole

5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole (PubChem CID 69088651) has the molecular formula C14H7ClF3N5OS and a molecular weight of 385.76 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
PubChem CID69088651
Molecular FormulaC14H7ClF3N5OS
Molecular Weight385.76 g/mol
Exact Mass385.00
IUPAC Name5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc2c(-c3noc(-c4sccc4Cl)n3)cnn12
InChIInChI=1S/C14H7ClF3N5OS/c1-6-4-9(14(16,17)18)20-12-7(5-19-23(6)12)11-21-13(24-22-11)10-8(15)2-3-25-10/h2-5H,1H3
InChIKeyLGMOEPDNIWCBEF-UHFFFAOYSA-N
XLogP4.49
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole (CID 69088651) is 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole is Cc1cc(C(F)(F)F)nc2c(-c3noc(-c4sccc4Cl)n3)cnn12.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is LGMOEPDNIWCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N5OS/c1-6-4-9(14(16,17)18)20-12-7(5-19-23(6)12)11-21-13(24-22-11)10-8(15)2-3-25-10/h2-5H,1H3.
What are the key properties of 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 385.76 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 69088651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).