N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C20H14FN3O3S — CID 55713796

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H14FN3O3S/c1-12-18(24-20(26-12)16-3-2-10-28-16)19(25)23-14-6-9-17(22-11-14)27-15-7-4-13(21)5-8-15/h2-11H,1H3,(H,23,25)
InChIKeyXTNYPDQFDGCKBZ-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.29
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55713796) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55713796
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H14FN3O3S/c1-12-18(24-20(26-12)16-3-2-10-28-16)19(25)23-14-6-9-17(22-11-14)27-15-7-4-13(21)5-8-15/h2-11H,1H3,(H,23,25)
InChIKeyXTNYPDQFDGCKBZ-UHFFFAOYSA-N
XLogP5.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55713796) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is XTNYPDQFDGCKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-12-18(24-20(26-12)16-3-2-10-28-16)19(25)23-14-6-9-17(22-11-14)27-15-7-4-13(21)5-8-15/h2-11H,1H3,(H,23,25).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55713796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).