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

C22H21FN6O2 — CID 71007307

IUPACN-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1cc(-c2ccc(F)cn2)on1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H21FN6O2/c1-3-28(11-8-17-13-21(31-27-17)19-6-5-16(23)14-24-19)22(30)18-12-15(2)4-7-20(18)29-25-9-10-26-29/h4-7,9-10,12-14H,3,8,11H2,1-2H3
InChIKeyLQZYBZGINWSWAN-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.47
Rot. Bonds7

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

N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 71007307) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID71007307
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1cc(-c2ccc(F)cn2)on1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H21FN6O2/c1-3-28(11-8-17-13-21(31-27-17)19-6-5-16(23)14-24-19)22(30)18-12-15(2)4-7-20(18)29-25-9-10-26-29/h4-7,9-10,12-14H,3,8,11H2,1-2H3
InChIKeyLQZYBZGINWSWAN-UHFFFAOYSA-N
XLogP3.47
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-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-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 71007307) is N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-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-oxazol-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-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(CCc1cc(-c2ccc(F)cn2)on1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is LQZYBZGINWSWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-3-28(11-8-17-13-21(31-27-17)19-6-5-16(23)14-24-19)22(30)18-12-15(2)4-7-20(18)29-25-9-10-26-29/h4-7,9-10,12-14H,3,8,11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 420.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 71007307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).