N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C15H21FN4O — CID 106960864

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(C)C(C)c2ccccc2F)o1
InChIInChI=1S/C15H21FN4O/c1-4-9-17-10-14-18-19-15(21-14)20(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyACNKBQKPEWLYOM-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.91
Rot. Bonds7

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

N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960864) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960864
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(C)C(C)c2ccccc2F)o1
InChIInChI=1S/C15H21FN4O/c1-4-9-17-10-14-18-19-15(21-14)20(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyACNKBQKPEWLYOM-UHFFFAOYSA-N
XLogP2.91
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960866
N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967964
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959812
N-ethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966903
N-[[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81461380
N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965056
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969389
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438
N-[[5-(2,4-dimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 114282336

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960864) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(N(C)C(C)c2ccccc2F)o1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ACNKBQKPEWLYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-4-9-17-10-14-18-19-15(21-14)20(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,4,9-10H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).