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

C17H14F4N4O — CID 133465033

IUPACN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(-c2noc(CCCNc3ncccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C17H14F4N4O/c18-12-7-5-11(6-8-12)15-24-14(26-25-15)4-2-10-23-16-13(17(19,20)21)3-1-9-22-16/h1,3,5-9H,2,4,10H2,(H,22,23)
InChIKeyLAHDCQOPHRDQLZ-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.33
Rot. Bonds6

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

N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 133465033) has the molecular formula C17H14F4N4O and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID133465033
Molecular FormulaC17H14F4N4O
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC NameN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(-c2noc(CCCNc3ncccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C17H14F4N4O/c18-12-7-5-11(6-8-12)15-24-14(26-25-15)4-2-10-23-16-13(17(19,20)21)3-1-9-22-16/h1,3,5-9H,2,4,10H2,(H,22,23)
InChIKeyLAHDCQOPHRDQLZ-UHFFFAOYSA-N
XLogP4.33
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.33
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

2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]pyridine-3-carbonitrile
CID 133465110
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-4-methylpyrimidin-2-amine
CID 133464996
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine
CID 133465113
2-[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-2-oxoethyl]sulfanylacetic acid
CID 120552836
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
6-chloro-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]pyridazine-4-carboxamide
CID 133465063
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585347
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133465065
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83279519
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-oxo-3H-phthalazin-1-yl)amino]butyl]propanamide
CID 20818956
3,5-difluoro-4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]benzonitrile
CID 133465072

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine (CID 133465033) is N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine is Fc1ccc(-c2noc(CCCNc3ncccc3C(F)(F)F)n2)cc1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LAHDCQOPHRDQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O/c18-12-7-5-11(6-8-12)15-24-14(26-25-15)4-2-10-23-16-13(17(19,20)21)3-1-9-22-16/h1,3,5-9H,2,4,10H2,(H,22,23).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 366.32 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133465033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).