N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide

C20H16FN5O3 — CID 71289119

IUPACN-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
SMILESCc1nc(-c2cncc(C(=O)NCCc3coc(-c4ccccc4F)n3)c2)no1
InChIInChI=1S/C20H16FN5O3/c1-12-24-18(26-29-12)13-8-14(10-22-9-13)19(27)23-7-6-15-11-28-20(25-15)16-4-2-3-5-17(16)21/h2-5,8-11H,6-7H2,1H3,(H,23,27)
InChIKeyOEFXSJJGIFQYTE-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide

N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide (PubChem CID 71289119) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
PubChem CID71289119
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
SMILESCc1nc(-c2cncc(C(=O)NCCc3coc(-c4ccccc4F)n3)c2)no1
InChIInChI=1S/C20H16FN5O3/c1-12-24-18(26-29-12)13-8-14(10-22-9-13)19(27)23-7-6-15-11-28-20(25-15)16-4-2-3-5-17(16)21/h2-5,8-11H,6-7H2,1H3,(H,23,27)
InChIKeyOEFXSJJGIFQYTE-UHFFFAOYSA-N
XLogP3.21
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide (CID 71289119) is N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide is Cc1nc(-c2cncc(C(=O)NCCc3coc(-c4ccccc4F)n3)c2)no1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
The InChIKey is OEFXSJJGIFQYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-12-24-18(26-29-12)13-8-14(10-22-9-13)19(27)23-7-6-15-11-28-20(25-15)16-4-2-3-5-17(16)21/h2-5,8-11H,6-7H2,1H3,(H,23,27).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71289119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).