1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine

C14H16FN3OS — CID 66052441

IUPAC1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(CSc2ccccc2F)no1)C1CC1
InChIInChI=1S/C14H16FN3OS/c1-14(16,9-6-7-9)13-17-12(18-19-13)8-20-11-5-3-2-4-10(11)15/h2-5,9H,6-8,16H2,1H3
InChIKeySHIUQUJXSZLLMV-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.08
Rot. Bonds5

About 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 66052441) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID66052441
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(CSc2ccccc2F)no1)C1CC1
InChIInChI=1S/C14H16FN3OS/c1-14(16,9-6-7-9)13-17-12(18-19-13)8-20-11-5-3-2-4-10(11)15/h2-5,9H,6-8,16H2,1H3
InChIKeySHIUQUJXSZLLMV-UHFFFAOYSA-N
XLogP3.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 66052441) is 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)(c1nc(CSc2ccccc2F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is SHIUQUJXSZLLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-14(16,9-6-7-9)13-17-12(18-19-13)8-20-11-5-3-2-4-10(11)15/h2-5,9H,6-8,16H2,1H3.
What are the key properties of 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 293.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 66052441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).