2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole

C21H18FN3O2 — CID 170144617

IUPAC2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole
SMILESCC(C)c1cnc(-c2cccc(Cc3cnc(-c4ccc(F)cn4)o3)c2)o1
InChIInChI=1S/C21H18FN3O2/c1-13(2)19-12-25-20(27-19)15-5-3-4-14(8-15)9-17-11-24-21(26-17)18-7-6-16(22)10-23-18/h3-8,10-13H,9H2,1-2H3
InChIKeyYUJHBCKPHDBRJL-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.24
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole

2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole (PubChem CID 170144617) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole
PubChem CID170144617
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole
SMILESCC(C)c1cnc(-c2cccc(Cc3cnc(-c4ccc(F)cn4)o3)c2)o1
InChIInChI=1S/C21H18FN3O2/c1-13(2)19-12-25-20(27-19)15-5-3-4-14(8-15)9-17-11-24-21(26-17)18-7-6-16(22)10-23-18/h3-8,10-13H,9H2,1-2H3
InChIKeyYUJHBCKPHDBRJL-UHFFFAOYSA-N
XLogP5.24
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole (CID 170144617) is 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole is CC(C)c1cnc(-c2cccc(Cc3cnc(-c4ccc(F)cn4)o3)c2)o1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole?
The InChIKey is YUJHBCKPHDBRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13(2)19-12-25-20(27-19)15-5-3-4-14(8-15)9-17-11-24-21(26-17)18-7-6-16(22)10-23-18/h3-8,10-13H,9H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole?
2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole has a molecular weight of 363.39 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole is sourced from PubChem (CID 170144617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).