5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C13H12F3N3O2 — CID 126772324

IUPAC5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(CNc2nnc(C3CC3)o2)c1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)21-10-3-1-2-8(6-10)7-17-12-19-18-11(20-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,17,19)
InChIKeyCBDUGTKYTYPKRM-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.46
Rot. Bonds5

About 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126772324) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126772324
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(CNc2nnc(C3CC3)o2)c1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)21-10-3-1-2-8(6-10)7-17-12-19-18-11(20-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,17,19)
InChIKeyCBDUGTKYTYPKRM-UHFFFAOYSA-N
XLogP3.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzonitrile
CID 75445985
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103643870
N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 115777283
2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
CID 107105253
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 126772324) is 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)Oc1cccc(CNc2nnc(C3CC3)o2)c1.
What is the InChIKey of 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CBDUGTKYTYPKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)21-10-3-1-2-8(6-10)7-17-12-19-18-11(20-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,17,19).
What are the key properties of 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 299.25 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126772324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).