4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C15H18FN3OS — CID 83192280

IUPAC4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCC(C)(c1ccc(F)cc1)c1noc(C2CSCC2N)n1
InChIInChI=1S/C15H18FN3OS/c1-15(2,9-3-5-10(16)6-4-9)14-18-13(20-19-14)11-7-21-8-12(11)17/h3-6,11-12H,7-8,17H2,1-2H3
InChIKeyYKGSNPPMNMACFP-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.69
Rot. Bonds3

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

4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83192280) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83192280
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCC(C)(c1ccc(F)cc1)c1noc(C2CSCC2N)n1
InChIInChI=1S/C15H18FN3OS/c1-15(2,9-3-5-10(16)6-4-9)14-18-13(20-19-14)11-7-21-8-12(11)17/h3-6,11-12H,7-8,17H2,1-2H3
InChIKeyYKGSNPPMNMACFP-UHFFFAOYSA-N
XLogP2.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 64759567
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201416
(3S,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812809
(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912316
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759373
cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759558
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83191973
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201694
5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116809410
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200894

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83192280) is 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine is CC(C)(c1ccc(F)cc1)c1noc(C2CSCC2N)n1.
What is the InChIKey of 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is YKGSNPPMNMACFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-15(2,9-3-5-10(16)6-4-9)14-18-13(20-19-14)11-7-21-8-12(11)17/h3-6,11-12H,7-8,17H2,1-2H3.
What are the key properties of 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 307.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83192280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).