N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C7H11F2N3O — CID 62137035

IUPACN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-2-3-10-4-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3
InChIKeyAUZLOFMANUXHJA-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.51
Rot. Bonds5

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

N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 62137035) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID62137035
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-2-3-10-4-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3
InChIKeyAUZLOFMANUXHJA-UHFFFAOYSA-N
XLogP1.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 62137035) is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(C(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is AUZLOFMANUXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-2-3-10-4-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 191.18 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62137035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).