N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine

C15H19ClFN3O — CID 107993073

IUPACN-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1nnc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C15H19ClFN3O/c1-15(2,3)18-8-4-5-13-19-20-14(21-13)10-6-7-11(16)12(17)9-10/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeySAUJQEGHPSAUDF-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 107993073) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID107993073
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1nnc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C15H19ClFN3O/c1-15(2,3)18-8-4-5-13-19-20-14(21-13)10-6-7-11(16)12(17)9-10/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeySAUJQEGHPSAUDF-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.85
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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Related Compounds

N-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62162492
N-ethyl-3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63211469
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62162780
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107952642
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136902
3-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 107993066
3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 63211515
2-(3-chloropropyl)-5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 63209997
N-[2-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62163649
N-[[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62921409
3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195140

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine (CID 107993073) is N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1nnc(-c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is SAUJQEGHPSAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-15(2,3)18-8-4-5-13-19-20-14(21-13)10-6-7-11(16)12(17)9-10/h6-7,9,18H,4-5,8H2,1-3H3.
What are the key properties of N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 311.79 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107993073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).