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

C22H20FN5O3 — CID 71289131

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
SMILESCc1nc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)no1
InChIInChI=1S/C22H20FN5O3/c1-13-26-19(28-31-13)15-8-16(10-24-9-15)20(29)25-12-22(2,3)18-11-30-21(27-18)14-4-6-17(23)7-5-14/h4-11H,12H2,1-3H3,(H,25,29)
InChIKeyFJCQGSQGUDXKQQ-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.94
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide (PubChem CID 71289131) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
PubChem CID71289131
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide
SMILESCc1nc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)no1
InChIInChI=1S/C22H20FN5O3/c1-13-26-19(28-31-13)15-8-16(10-24-9-15)20(29)25-12-22(2,3)18-11-30-21(27-18)14-4-6-17(23)7-5-14/h4-11H,12H2,1-3H3,(H,25,29)
InChIKeyFJCQGSQGUDXKQQ-UHFFFAOYSA-N
XLogP3.94
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide (CID 71289131) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide is Cc1nc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)no1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
The InChIKey is FJCQGSQGUDXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-13-26-19(28-31-13)15-8-16(10-24-9-15)20(29)25-12-22(2,3)18-11-30-21(27-18)14-4-6-17(23)7-5-14/h4-11H,12H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71289131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).