N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine

C7H10FN3O — CID 130615024

IUPACN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCC2(F)CC2)o1
InChIInChI=1S/C7H10FN3O/c1-5-10-11-6(12-5)9-4-7(8)2-3-7/h2-4H2,1H3,(H,9,11)
InChIKeyVEAUGTVTBDBIDK-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.29
Rot. Bonds3

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

N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 130615024) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID130615024
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCC2(F)CC2)o1
InChIInChI=1S/C7H10FN3O/c1-5-10-11-6(12-5)9-4-7(8)2-3-7/h2-4H2,1H3,(H,9,11)
InChIKeyVEAUGTVTBDBIDK-UHFFFAOYSA-N
XLogP1.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 130615024) is N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCC2(F)CC2)o1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is VEAUGTVTBDBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5-10-11-6(12-5)9-4-7(8)2-3-7/h2-4H2,1H3,(H,9,11).
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 171.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130615024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).