5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C20H14FN3O2S — CID 139582893

IUPAC5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1cccs1)c1ccccn1
InChIInChI=1S/C20H14FN3O2S/c21-15-8-6-14(7-9-15)18-12-17(23-26-18)20(25)24(13-16-4-3-11-27-16)19-5-1-2-10-22-19/h1-12H,13H2
InChIKeyXKINFELPJQONQA-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.78
Rot. Bonds5

About 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 139582893) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID139582893
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1cccs1)c1ccccn1
InChIInChI=1S/C20H14FN3O2S/c21-15-8-6-14(7-9-15)18-12-17(23-26-18)20(25)24(13-16-4-3-11-27-16)19-5-1-2-10-22-19/h1-12H,13H2
InChIKeyXKINFELPJQONQA-UHFFFAOYSA-N
XLogP4.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 139582893) is 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1cccs1)c1ccccn1.
What is the InChIKey of 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XKINFELPJQONQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-15-8-6-14(7-9-15)18-12-17(23-26-18)20(25)24(13-16-4-3-11-27-16)19-5-1-2-10-22-19/h1-12H,13H2.
What are the key properties of 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139582893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).