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

C14H18FN3OS — CID 63807726

IUPACN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nnc(Sc2ccc(F)cc2CNC(C)(C)C)o1
InChIInChI=1S/C14H18FN3OS/c1-9-17-18-13(19-9)20-12-6-5-11(15)7-10(12)8-16-14(2,3)4/h5-7,16H,8H2,1-4H3
InChIKeyOYYKFNUQWBOYJO-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.56
Rot. Bonds4

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

N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63807726) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63807726
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nnc(Sc2ccc(F)cc2CNC(C)(C)C)o1
InChIInChI=1S/C14H18FN3OS/c1-9-17-18-13(19-9)20-12-6-5-11(15)7-10(12)8-16-14(2,3)4/h5-7,16H,8H2,1-4H3
InChIKeyOYYKFNUQWBOYJO-UHFFFAOYSA-N
XLogP3.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63808250
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63806030
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol
CID 107772146
N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072475
N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807547
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63805350
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106926785
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63808426
N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071149
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42903005

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine (CID 63807726) is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine is Cc1nnc(Sc2ccc(F)cc2CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OYYKFNUQWBOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9-17-18-13(19-9)20-12-6-5-11(15)7-10(12)8-16-14(2,3)4/h5-7,16H,8H2,1-4H3.
What are the key properties of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 3.56, 4 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]-2-methylpropan-2-amine is sourced from PubChem (CID 63807726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).