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

C15H18FN3OS — CID 83191954

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3OS/c1-2-7-17-13-9-21-8-12(13)15-18-14(19-20-15)10-3-5-11(16)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3
InChIKeyFGJXPKIYYNUEGO-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.07
Rot. Bonds5

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

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (PubChem CID 83191954) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
PubChem CID83191954
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3OS/c1-2-7-17-13-9-21-8-12(13)15-18-14(19-20-15)10-3-5-11(16)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3
InChIKeyFGJXPKIYYNUEGO-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
N-ethyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83191950
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201298
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200903
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201148
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200418
N-ethyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200652
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200497
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83201243

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (CID 83191954) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is CCCNC1CSCC1c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The InChIKey is FGJXPKIYYNUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-2-7-17-13-9-21-8-12(13)15-18-14(19-20-15)10-3-5-11(16)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine has a molecular weight of 307.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83191954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).