3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine

C13H18F3N3O2 — CID 154794704

IUPAC3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)C(CC1CCCO1)Nc1nc(C2CCC2)no1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)10(7-9-5-2-6-20-9)17-12-18-11(19-21-12)8-3-1-4-8/h8-10H,1-7H2,(H,17,18,19)
InChIKeySQOBPGNJKGDFTR-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.25
Rot. Bonds5

About 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine

3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine (PubChem CID 154794704) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine
PubChem CID154794704
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine
SMILESFC(F)(F)C(CC1CCCO1)Nc1nc(C2CCC2)no1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)10(7-9-5-2-6-20-9)17-12-18-11(19-21-12)8-3-1-4-8/h8-10H,1-7H2,(H,17,18,19)
InChIKeySQOBPGNJKGDFTR-UHFFFAOYSA-N
XLogP3.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine (CID 154794704) is 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine is FC(F)(F)C(CC1CCCO1)Nc1nc(C2CCC2)no1.
What is the InChIKey of 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine?
The InChIKey is SQOBPGNJKGDFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)10(7-9-5-2-6-20-9)17-12-18-11(19-21-12)8-3-1-4-8/h8-10H,1-7H2,(H,17,18,19).
What are the key properties of 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine?
3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine has a molecular weight of 305.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 154794704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).