5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C9H9F3N6O — CID 127388306

IUPAC5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(Cn2nnc(C3CC3)n2)n1
InChIInChI=1S/C9H9F3N6O/c10-9(11,12)3-6-13-7(19-16-6)4-18-15-8(14-17-18)5-1-2-5/h5H,1-4H2
InChIKeyRAXOIMWJNRWZFN-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.09
Rot. Bonds4

About 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 127388306) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID127388306
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(Cn2nnc(C3CC3)n2)n1
InChIInChI=1S/C9H9F3N6O/c10-9(11,12)3-6-13-7(19-16-6)4-18-15-8(14-17-18)5-1-2-5/h5H,1-4H2
InChIKeyRAXOIMWJNRWZFN-UHFFFAOYSA-N
XLogP1.09
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 127755566
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483124
2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine
CID 166393831
5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127712347
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799
4-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]sulfonylmorpholine
CID 166211184
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482940
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
5-(azetidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 79316238
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
CID 62594311
5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 128905197

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 127388306) is 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(Cn2nnc(C3CC3)n2)n1.
What is the InChIKey of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is RAXOIMWJNRWZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c10-9(11,12)3-6-13-7(19-16-6)4-18-15-8(14-17-18)5-1-2-5/h5H,1-4H2.
What are the key properties of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 274.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127388306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).