N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine

C13H16FN3OS — CID 63809137

IUPACN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1nnc(Sc2ccc(F)cc2CNC(C)C)o1
InChIInChI=1S/C13H16FN3OS/c1-8(2)15-7-10-6-11(14)4-5-12(10)19-13-17-16-9(3)18-13/h4-6,8,15H,7H2,1-3H3
InChIKeyFEIUUAZOIPQOPS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds5

About N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine (PubChem CID 63809137) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
PubChem CID63809137
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1nnc(Sc2ccc(F)cc2CNC(C)C)o1
InChIInChI=1S/C13H16FN3OS/c1-8(2)15-7-10-6-11(14)4-5-12(10)19-13-17-16-9(3)18-13/h4-6,8,15H,7H2,1-3H3
InChIKeyFEIUUAZOIPQOPS-UHFFFAOYSA-N
XLogP3.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine (CID 63809137) is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine is Cc1nnc(Sc2ccc(F)cc2CNC(C)C)o1.
What is the InChIKey of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The InChIKey is FEIUUAZOIPQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-8(2)15-7-10-6-11(14)4-5-12(10)19-13-17-16-9(3)18-13/h4-6,8,15H,7H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63809137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).