(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine

C16H16FN3OS — CID 31939484

IUPAC(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1cccs1
InChIInChI=1S/C16H16FN3OS/c1-11(20(2)10-14-4-3-9-22-14)15-18-19-16(21-15)12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyCGLSJSUMSKZTJO-NSHDSACASA-N
MW317.39 g/mol
LogP4.13
Rot. Bonds5

About (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine

(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 31939484) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID31939484
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1cccs1
InChIInChI=1S/C16H16FN3OS/c1-11(20(2)10-14-4-3-9-22-14)15-18-19-16(21-15)12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyCGLSJSUMSKZTJO-NSHDSACASA-N
XLogP4.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (CID 31939484) is (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1cccs1.
What is the InChIKey of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is CGLSJSUMSKZTJO-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-11(20(2)10-14-4-3-9-22-14)15-18-19-16(21-15)12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 317.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 31939484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).