N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C22H18FN3O3S — CID 55692797

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C22H18FN3O3S/c1-14-18(26-22(28-14)19-8-4-10-30-19)12-20(27)25-13-15-5-3-9-24-21(15)29-17-7-2-6-16(23)11-17/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyDEKBZCPHPWIZEA-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.90
Rot. Bonds7

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 55692797) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID55692797
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C22H18FN3O3S/c1-14-18(26-22(28-14)19-8-4-10-30-19)12-20(27)25-13-15-5-3-9-24-21(15)29-17-7-2-6-16(23)11-17/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyDEKBZCPHPWIZEA-UHFFFAOYSA-N
XLogP4.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 55692797) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is DEKBZCPHPWIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-14-18(26-22(28-14)19-8-4-10-30-19)12-20(27)25-13-15-5-3-9-24-21(15)29-17-7-2-6-16(23)11-17/h2-11H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55692797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).