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

C14H16F3N3O — CID 63190079

IUPACN-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C14H16F3N3O/c1-3-5-18-11(4-2)14-20-19-13(21-14)8-6-9(15)12(17)10(16)7-8/h6-7,11,18H,3-5H2,1-2H3
InChIKeyUQRVFKFVBICPGK-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.60
Rot. Bonds6

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

N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 63190079) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID63190079
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C14H16F3N3O/c1-3-5-18-11(4-2)14-20-19-13(21-14)8-6-9(15)12(17)10(16)7-8/h6-7,11,18H,3-5H2,1-2H3
InChIKeyUQRVFKFVBICPGK-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190034
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858121
1-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857466
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124213
1-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857793
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353
N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857122
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103212040

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 63190079) is N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCCNC(CC)c1nnc(-c2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is UQRVFKFVBICPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-3-5-18-11(4-2)14-20-19-13(21-14)8-6-9(15)12(17)10(16)7-8/h6-7,11,18H,3-5H2,1-2H3.
What are the key properties of N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 63190079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).