1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea

C13H14FN3O3 — CID 86816786

IUPAC1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
SMILESCONC(=O)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O3/c1-19-17-13(18)15-7-6-11-8-20-12(16-11)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H2,15,17,18)
InChIKeyWNQYXZCQQIPNRI-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea

1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea (PubChem CID 86816786) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
PubChem CID86816786
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
SMILESCONC(=O)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O3/c1-19-17-13(18)15-7-6-11-8-20-12(16-11)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H2,15,17,18)
InChIKeyWNQYXZCQQIPNRI-UHFFFAOYSA-N
XLogP1.88
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea (CID 86816786) is 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea is CONC(=O)NCCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea?
The InChIKey is WNQYXZCQQIPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-19-17-13(18)15-7-6-11-8-20-12(16-11)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H2,15,17,18).
What are the key properties of 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea?
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea has a molecular weight of 279.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea is sourced from PubChem (CID 86816786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).