[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine

C4H5F2N3O — CID 62069871

IUPAC[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(F)F)o1
InChIInChI=1S/C4H5F2N3O/c5-3(6)4-9-8-2(1-7)10-4/h3H,1,7H2
InChIKeyHMPXSWBHMJLRLT-UHFFFAOYSA-N
MW149.10 g/mol
LogP0.47
Rot. Bonds2

About [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62069871) has the molecular formula C4H5F2N3O and a molecular weight of 149.10 g/mol. Its IUPAC name is [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62069871
Molecular FormulaC4H5F2N3O
Molecular Weight149.10 g/mol
Exact Mass149.04
IUPAC Name[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(F)F)o1
InChIInChI=1S/C4H5F2N3O/c5-3(6)4-9-8-2(1-7)10-4/h3H,1,7H2
InChIKeyHMPXSWBHMJLRLT-UHFFFAOYSA-N
XLogP0.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]amine
CID 14442192
(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
CID 20848010
(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-YL)methanamine
CID 55263777
1-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82184346
N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959787
(R)-1-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethanamine
CID 90445915
(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 94919811
[5-(Fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 118699745
1-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070080
[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070926
1-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071135
1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139576

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62069871) is [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(C(F)F)o1.
What is the InChIKey of [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HMPXSWBHMJLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3O/c5-3(6)4-9-8-2(1-7)10-4/h3H,1,7H2.
What are the key properties of [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 149.10 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62069871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).