N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

C21H20FN7O2 — CID 71007308

IUPACN-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1noc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C21H20FN7O2/c1-3-28(11-8-19-26-20(31-27-19)17-6-5-15(22)13-23-17)21(30)16-12-14(2)4-7-18(16)29-24-9-10-25-29/h4-7,9-10,12-13H,3,8,11H2,1-2H3
InChIKeyAJUIDXGPKBVVMP-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.86
Rot. Bonds7

About N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 71007308) has the molecular formula C21H20FN7O2 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID71007308
Molecular FormulaC21H20FN7O2
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC NameN-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1noc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C21H20FN7O2/c1-3-28(11-8-19-26-20(31-27-19)17-6-5-15(22)13-23-17)21(30)16-12-14(2)4-7-18(16)29-24-9-10-25-29/h4-7,9-10,12-13H,3,8,11H2,1-2H3
InChIKeyAJUIDXGPKBVVMP-UHFFFAOYSA-N
XLogP2.86
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 71007308) is N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(CCc1noc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is AJUIDXGPKBVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O2/c1-3-28(11-8-19-26-20(31-27-19)17-6-5-15(22)13-23-17)21(30)16-12-14(2)4-7-18(16)29-24-9-10-25-29/h4-7,9-10,12-13H,3,8,11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 421.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 71007308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).