2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C16H15FN4O2S — CID 71967813

IUPAC2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCN(Cc1nnc(-c2cccs2)o1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C16H15FN4O2S/c1-21(14(15(18)22)10-4-2-5-11(17)8-10)9-13-19-20-16(23-13)12-6-3-7-24-12/h2-8,14H,9H2,1H3,(H2,18,22)
InChIKeyHOTVRNUZMCBSFD-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.60
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 71967813) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
PubChem CID71967813
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCN(Cc1nnc(-c2cccs2)o1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C16H15FN4O2S/c1-21(14(15(18)22)10-4-2-5-11(17)8-10)9-13-19-20-16(23-13)12-6-3-7-24-12/h2-8,14H,9H2,1H3,(H2,18,22)
InChIKeyHOTVRNUZMCBSFD-UHFFFAOYSA-N
XLogP2.60
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 71967813) is 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CN(Cc1nnc(-c2cccs2)o1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The InChIKey is HOTVRNUZMCBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21(14(15(18)22)10-4-2-5-11(17)8-10)9-13-19-20-16(23-13)12-6-3-7-24-12/h2-8,14H,9H2,1H3,(H2,18,22).
What are the key properties of 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 71967813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).