3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one

C23H19FN4O2 — CID 123302241

IUPAC3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C=CC)C1COC(=O)N1c1ccc(-c2cnc(F)c(-c3ncccn3)c2)cc1
InChIInChI=1S/C23H19FN4O2/c1-3-5-15(2)20-14-30-23(29)28(20)18-8-6-16(7-9-18)17-12-19(21(24)27-13-17)22-25-10-4-11-26-22/h3-13,20H,2,14H2,1H3
InChIKeyITWXRCNUZGIEFG-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.80
Rot. Bonds5

About 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one

3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one (PubChem CID 123302241) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one
PubChem CID123302241
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C=CC)C1COC(=O)N1c1ccc(-c2cnc(F)c(-c3ncccn3)c2)cc1
InChIInChI=1S/C23H19FN4O2/c1-3-5-15(2)20-14-30-23(29)28(20)18-8-6-16(7-9-18)17-12-19(21(24)27-13-17)22-25-10-4-11-26-22/h3-13,20H,2,14H2,1H3
InChIKeyITWXRCNUZGIEFG-UHFFFAOYSA-N
XLogP4.80
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one (CID 123302241) is 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one is C=C(C=CC)C1COC(=O)N1c1ccc(-c2cnc(F)c(-c3ncccn3)c2)cc1.
What is the InChIKey of 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ITWXRCNUZGIEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-3-5-15(2)20-14-30-23(29)28(20)18-8-6-16(7-9-18)17-12-19(21(24)27-13-17)22-25-10-4-11-26-22/h3-13,20H,2,14H2,1H3.
What are the key properties of 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one?
3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one has a molecular weight of 402.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-penta-1,3-dien-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123302241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).