[2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea

C15H11FN4O3 — CID 68761665

IUPAC[2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESNC(=O)Nc1ccc(Oc2ccnc(-c3ccon3)c2)cc1F
InChIInChI=1S/C15H11FN4O3/c16-11-7-9(1-2-12(11)19-15(17)21)23-10-3-5-18-14(8-10)13-4-6-22-20-13/h1-8H,(H3,17,19,21)
InChIKeyMRSFUQFVYCRXHV-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.16
Rot. Bonds4

About [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea

[2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 68761665) has the molecular formula C15H11FN4O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name[2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
PubChem CID68761665
Molecular FormulaC15H11FN4O3
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC Name[2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESNC(=O)Nc1ccc(Oc2ccnc(-c3ccon3)c2)cc1F
InChIInChI=1S/C15H11FN4O3/c16-11-7-9(1-2-12(11)19-15(17)21)23-10-3-5-18-14(8-10)13-4-6-22-20-13/h1-8H,(H3,17,19,21)
InChIKeyMRSFUQFVYCRXHV-UHFFFAOYSA-N
XLogP3.16
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea (CID 68761665) is [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea is NC(=O)Nc1ccc(Oc2ccnc(-c3ccon3)c2)cc1F.
What is the InChIKey of [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is MRSFUQFVYCRXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3/c16-11-7-9(1-2-12(11)19-15(17)21)23-10-3-5-18-14(8-10)13-4-6-22-20-13/h1-8H,(H3,17,19,21).
What are the key properties of [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea?
[2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 314.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[[2-(1,2-oxazol-3-yl)-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 68761665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).