2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C21H16FN3O2S — CID 59384758

IUPAC2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)NCc1ccccn1
InChIInChI=1S/C21H16FN3O2S/c22-16-6-4-14(5-7-16)21-25-18(20(27-21)15-8-10-28-13-15)11-19(26)24-12-17-3-1-2-9-23-17/h1-10,13H,11-12H2,(H,24,26)
InChIKeyCDGYBXBNFIQPEU-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.46
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 59384758) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID59384758
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)NCc1ccccn1
InChIInChI=1S/C21H16FN3O2S/c22-16-6-4-14(5-7-16)21-25-18(20(27-21)15-8-10-28-13-15)11-19(26)24-12-17-3-1-2-9-23-17/h1-10,13H,11-12H2,(H,24,26)
InChIKeyCDGYBXBNFIQPEU-UHFFFAOYSA-N
XLogP4.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 16675997
2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 87051704
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
2-[2-(4-methylsulfanylphenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 59384476
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59384660
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate
CID 67549415
sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride
CID 173080381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 59384758) is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)NCc1ccccn1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CDGYBXBNFIQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-16-6-4-14(5-7-16)21-25-18(20(27-21)15-8-10-28-13-15)11-19(26)24-12-17-3-1-2-9-23-17/h1-10,13H,11-12H2,(H,24,26).
What are the key properties of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 59384758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).