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

C9H14FN3O — CID 176761338

IUPACN-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(CNCC2(F)CCC2)o1
InChIInChI=1S/C9H14FN3O/c1-7-12-13-8(14-7)5-11-6-9(10)3-2-4-9/h11H,2-6H2,1H3
InChIKeyGZIPIFSHRMFPRP-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.36
Rot. Bonds4

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

N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 176761338) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID176761338
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC NameN-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(CNCC2(F)CCC2)o1
InChIInChI=1S/C9H14FN3O/c1-7-12-13-8(14-7)5-11-6-9(10)3-2-4-9/h11H,2-6H2,1H3
InChIKeyGZIPIFSHRMFPRP-UHFFFAOYSA-N
XLogP1.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (CID 176761338) is N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is Cc1nnc(CNCC2(F)CCC2)o1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is GZIPIFSHRMFPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-7-12-13-8(14-7)5-11-6-9(10)3-2-4-9/h11H,2-6H2,1H3.
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 199.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 176761338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).