1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea

C11H10FN3O2 — CID 162459044

IUPAC1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
SMILESNC(=O)N(Cc1ccno1)c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c12-8-1-3-9(4-2-8)15(11(13)16)7-10-5-6-14-17-10/h1-6H,7H2,(H2,13,16)
InChIKeyBTWVLJHMIZOIMY-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.90
Rot. Bonds3

About 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea

1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea (PubChem CID 162459044) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
PubChem CID162459044
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea
SMILESNC(=O)N(Cc1ccno1)c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c12-8-1-3-9(4-2-8)15(11(13)16)7-10-5-6-14-17-10/h1-6H,7H2,(H2,13,16)
InChIKeyBTWVLJHMIZOIMY-UHFFFAOYSA-N
XLogP1.90
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea (CID 162459044) is 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea is NC(=O)N(Cc1ccno1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
The InChIKey is BTWVLJHMIZOIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-1-3-9(4-2-8)15(11(13)16)7-10-5-6-14-17-10/h1-6H,7H2,(H2,13,16).
What are the key properties of 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea?
1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea has a molecular weight of 235.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(1,2-oxazol-5-ylmethyl)urea is sourced from PubChem (CID 162459044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).