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

C14H18FN3OS — CID 63808601

IUPACN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(Sc2ccc(F)cc2CNCC(C)C)o1
InChIInChI=1S/C14H18FN3OS/c1-9(2)7-16-8-11-6-12(15)4-5-13(11)20-14-18-17-10(3)19-14/h4-6,9,16H,7-8H2,1-3H3
InChIKeyRLKVMLWCPNTWRT-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.41
Rot. Bonds6

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

N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63808601) 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-1-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63808601
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-1-amine
SMILESCc1nnc(Sc2ccc(F)cc2CNCC(C)C)o1
InChIInChI=1S/C14H18FN3OS/c1-9(2)7-16-8-11-6-12(15)4-5-13(11)20-14-18-17-10(3)19-14/h4-6,9,16H,7-8H2,1-3H3
InChIKeyRLKVMLWCPNTWRT-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.41
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]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine (CID 63808601) is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine is Cc1nnc(Sc2ccc(F)cc2CNCC(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-1-amine?
The InChIKey is RLKVMLWCPNTWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9(2)7-16-8-11-6-12(15)4-5-13(11)20-14-18-17-10(3)19-14/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.38 g/mol, XLogP of 3.41, 6 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-1-amine is sourced from PubChem (CID 63808601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).