N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine

C14H18FN3OS — CID 62255615

IUPACN-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1Sc1nnc(C)o1
InChIInChI=1S/C14H18FN3OS/c1-4-8-16-9(2)13-11(15)6-5-7-12(13)20-14-18-17-10(3)19-14/h5-7,9,16H,4,8H2,1-3H3
InChIKeyBOLUDAPXXPHHJW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.73
Rot. Bonds6

About N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine

N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine (PubChem CID 62255615) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
PubChem CID62255615
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1Sc1nnc(C)o1
InChIInChI=1S/C14H18FN3OS/c1-4-8-16-9(2)13-11(15)6-5-7-12(13)20-14-18-17-10(3)19-14/h5-7,9,16H,4,8H2,1-3H3
InChIKeyBOLUDAPXXPHHJW-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine (CID 62255615) is N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1Sc1nnc(C)o1.
What is the InChIKey of N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine?
The InChIKey is BOLUDAPXXPHHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-4-8-16-9(2)13-11(15)6-5-7-12(13)20-14-18-17-10(3)19-14/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine?
N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine has a molecular weight of 295.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62255615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).