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

C8H12FN3O — CID 169107898

IUPACN-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(CNCC2(F)CC2)o1
InChIInChI=1S/C8H12FN3O/c1-6-11-12-7(13-6)4-10-5-8(9)2-3-8/h10H,2-5H2,1H3
InChIKeyCQTOAQHNTCCGKE-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.97
Rot. Bonds4

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

N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 169107898) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID169107898
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(CNCC2(F)CC2)o1
InChIInChI=1S/C8H12FN3O/c1-6-11-12-7(13-6)4-10-5-8(9)2-3-8/h10H,2-5H2,1H3
InChIKeyCQTOAQHNTCCGKE-UHFFFAOYSA-N
XLogP0.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.97
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]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (CID 169107898) is N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is Cc1nnc(CNCC2(F)CC2)o1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is CQTOAQHNTCCGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6-11-12-7(13-6)4-10-5-8(9)2-3-8/h10H,2-5H2,1H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 185.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 169107898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).