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

C11H10FN3O2 — CID 108814234

IUPAC1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccno1
InChIInChI=1S/C11H10FN3O2/c12-9-3-1-2-8(6-9)7-13-11(16)15-10-4-5-14-17-10/h1-6H,7H2,(H2,13,15,16)
InChIKeyVDKUQEYTKQWLJK-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.14
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814234) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea
PubChem CID108814234
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccno1
InChIInChI=1S/C11H10FN3O2/c12-9-3-1-2-8(6-9)7-13-11(16)15-10-4-5-14-17-10/h1-6H,7H2,(H2,13,15,16)
InChIKeyVDKUQEYTKQWLJK-UHFFFAOYSA-N
XLogP2.14
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea (CID 108814234) is 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea is O=C(NCc1cccc(F)c1)Nc1ccno1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
The InChIKey is VDKUQEYTKQWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-9-3-1-2-8(6-9)7-13-11(16)15-10-4-5-14-17-10/h1-6H,7H2,(H2,13,15,16).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea has a molecular weight of 235.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).