3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole

C11H8FN5OS — CID 167939514

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole
SMILESFc1ccsc1-c1nc(-c2n[nH]c(C3CC3)n2)no1
InChIInChI=1S/C11H8FN5OS/c12-6-3-4-19-7(6)11-14-10(17-18-11)9-13-8(15-16-9)5-1-2-5/h3-5H,1-2H2,(H,13,15,16)
InChIKeyJGLPGTHBEGONKC-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.60
Rot. Bonds3

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 167939514) has the molecular formula C11H8FN5OS and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole
PubChem CID167939514
Molecular FormulaC11H8FN5OS
Molecular Weight277.28 g/mol
Exact Mass277.04
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole
SMILESFc1ccsc1-c1nc(-c2n[nH]c(C3CC3)n2)no1
InChIInChI=1S/C11H8FN5OS/c12-6-3-4-19-7(6)11-14-10(17-18-11)9-13-8(15-16-9)5-1-2-5/h3-5H,1-2H2,(H,13,15,16)
InChIKeyJGLPGTHBEGONKC-UHFFFAOYSA-N
XLogP2.60
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole (CID 167939514) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole is Fc1ccsc1-c1nc(-c2n[nH]c(C3CC3)n2)no1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is JGLPGTHBEGONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5OS/c12-6-3-4-19-7(6)11-14-10(17-18-11)9-13-8(15-16-9)5-1-2-5/h3-5H,1-2H2,(H,13,15,16).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 277.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167939514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).