[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea

C15H11FN4O2 — CID 69085448

IUPAC[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C15H11FN4O2/c16-11-3-1-9(2-4-11)13-14(22-8-19-13)10-5-6-18-12(7-10)20-15(17)21/h1-8H,(H3,17,18,20,21)
InChIKeyOQTWCWPFOSBVDI-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.03
Rot. Bonds3

About [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea

[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea (PubChem CID 69085448) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea
PubChem CID69085448
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C15H11FN4O2/c16-11-3-1-9(2-4-11)13-14(22-8-19-13)10-5-6-18-12(7-10)20-15(17)21/h1-8H,(H3,17,18,20,21)
InChIKeyOQTWCWPFOSBVDI-UHFFFAOYSA-N
XLogP3.03
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?
The IUPAC name of [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea (CID 69085448) is [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?
The canonical SMILES for [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea is NC(=O)Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?
The InChIKey is OQTWCWPFOSBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-11-3-1-9(2-4-11)13-14(22-8-19-13)10-5-6-18-12(7-10)20-15(17)21/h1-8H,(H3,17,18,20,21).
What are the key properties of [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?
[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea has a molecular weight of 298.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea is sourced from PubChem (CID 69085448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).