1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine

C9H14FN3O — CID 176761360

IUPAC1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
SMILESCCc1nnc(CNCC2(F)CC2)o1
InChIInChI=1S/C9H14FN3O/c1-2-7-12-13-8(14-7)5-11-6-9(10)3-4-9/h11H,2-6H2,1H3
InChIKeyGRQVZCJVBHKUAL-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.22
Rot. Bonds5

About 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine

1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine (PubChem CID 176761360) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
PubChem CID176761360
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
SMILESCCc1nnc(CNCC2(F)CC2)o1
InChIInChI=1S/C9H14FN3O/c1-2-7-12-13-8(14-7)5-11-6-9(10)3-4-9/h11H,2-6H2,1H3
InChIKeyGRQVZCJVBHKUAL-UHFFFAOYSA-N
XLogP1.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-methylmethanamine
CID 46835758
N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 169107898
N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 176761338
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136861
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137035
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137733
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137936
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137966
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62139039
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139071
N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162717
N-[1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163416

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine?
The IUPAC name of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine (CID 176761360) is 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine is CCc1nnc(CNCC2(F)CC2)o1.
What is the InChIKey of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine?
The InChIKey is GRQVZCJVBHKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-2-7-12-13-8(14-7)5-11-6-9(10)3-4-9/h11H,2-6H2,1H3.
What are the key properties of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine?
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine has a molecular weight of 199.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine is sourced from PubChem (CID 176761360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).