N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C13H15F3N4O — CID 114909302

IUPACN-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C13H15F3N4O/c1-2-6-17-7-5-11-19-20-12(21-11)10-4-3-9(8-18-10)13(14,15)16/h3-4,8,17H,2,5-7H2,1H3
InChIKeyHDZREFKNGKZPKE-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.69
Rot. Bonds6

About N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 114909302) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID114909302
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C13H15F3N4O/c1-2-6-17-7-5-11-19-20-12(21-11)10-4-3-9(8-18-10)13(14,15)16/h3-4,8,17H,2,5-7H2,1H3
InChIKeyHDZREFKNGKZPKE-UHFFFAOYSA-N
XLogP2.69
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748670
N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183321
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 114909560
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55153256
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761
N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62165008
N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 81105824
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
N-[2-[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 79807519

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 114909302) is N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(-c2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is HDZREFKNGKZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-2-6-17-7-5-11-19-20-12(21-11)10-4-3-9(8-18-10)13(14,15)16/h3-4,8,17H,2,5-7H2,1H3.
What are the key properties of N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 300.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 114909302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).