1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea

C12H14FN3O3 — CID 15388855

IUPAC1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
SMILESCC(C1CC(c2ccc(F)cc2)=NO1)N(O)C(N)=O
InChIInChI=1S/C12H14FN3O3/c1-7(16(18)12(14)17)11-6-10(15-19-11)8-2-4-9(13)5-3-8/h2-5,7,11,18H,6H2,1H3,(H2,14,17)
InChIKeyKPYDNUMBLKOSEK-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.48
Rot. Bonds3

About 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea

1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea (PubChem CID 15388855) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
PubChem CID15388855
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
SMILESCC(C1CC(c2ccc(F)cc2)=NO1)N(O)C(N)=O
InChIInChI=1S/C12H14FN3O3/c1-7(16(18)12(14)17)11-6-10(15-19-11)8-2-4-9(13)5-3-8/h2-5,7,11,18H,6H2,1H3,(H2,14,17)
InChIKeyKPYDNUMBLKOSEK-UHFFFAOYSA-N
XLogP1.48
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea (CID 15388855) is 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea is CC(C1CC(c2ccc(F)cc2)=NO1)N(O)C(N)=O.
What is the InChIKey of 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
The InChIKey is KPYDNUMBLKOSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-7(16(18)12(14)17)11-6-10(15-19-11)8-2-4-9(13)5-3-8/h2-5,7,11,18H,6H2,1H3,(H2,14,17).
What are the key properties of 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea?
1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea has a molecular weight of 267.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea is sourced from PubChem (CID 15388855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).