1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine

C8H14FN3O — CID 131089054

IUPAC1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C(C)(C)F)o1
InChIInChI=1S/C8H14FN3O/c1-8(2,9)7-11-10-6(13-7)5-12(3)4/h5H2,1-4H3
InChIKeyQBSSWLBBKAOSNI-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.34
Rot. Bonds3

About 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine

1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 131089054) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine
PubChem CID131089054
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C(C)(C)F)o1
InChIInChI=1S/C8H14FN3O/c1-8(2,9)7-11-10-6(13-7)5-12(3)4/h5H2,1-4H3
InChIKeyQBSSWLBBKAOSNI-UHFFFAOYSA-N
XLogP1.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine (CID 131089054) is 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1nnc(C(C)(C)F)o1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QBSSWLBBKAOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-8(2,9)7-11-10-6(13-7)5-12(3)4/h5H2,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine?
1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 187.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131089054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).