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

C16H16FN3OS — CID 17426173

IUPAC1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(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
InChIKeyCGLSJSUMSKZTJO-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.13
Rot. Bonds5

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

1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 17426173) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID17426173
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(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
InChIKeyCGLSJSUMSKZTJO-UHFFFAOYSA-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 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine (CID 17426173) is 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is CC(c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1cccs1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is CGLSJSUMSKZTJO-UHFFFAOYSA-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.
What are the key properties of 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine?
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 1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 17426173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).