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

C12H14FN3O3 — CID 57161067

IUPAC1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea
SMILESCC1ONC(c2ccc(F)cc2)=C1CN(O)C(N)=O
InChIInChI=1S/C12H14FN3O3/c1-7-10(6-16(18)12(14)17)11(15-19-7)8-2-4-9(13)5-3-8/h2-5,7,15,18H,6H2,1H3,(H2,14,17)
InChIKeyFUSZHZMKVBKKEH-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.23
Rot. Bonds3

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

1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea (PubChem CID 57161067) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea
PubChem CID57161067
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea
SMILESCC1ONC(c2ccc(F)cc2)=C1CN(O)C(N)=O
InChIInChI=1S/C12H14FN3O3/c1-7-10(6-16(18)12(14)17)11(15-19-7)8-2-4-9(13)5-3-8/h2-5,7,15,18H,6H2,1H3,(H2,14,17)
InChIKeyFUSZHZMKVBKKEH-UHFFFAOYSA-N
XLogP1.23
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
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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Related Compounds

1-Benzyl-1-propoxyurea
CID 134896762
1-[1-(4-Fluorophenyl)ethyl]-1-hydroxyurea
CID 54388887
1-[[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
CID 57012206
1-[1-[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
CID 57013220
N-[[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57079825
1-[[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea
CID 57095982
N-[[3-(3,4,5-trifluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57124880
1-Hydroxy-1-[1-[3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea
CID 57145845
N-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57233056
N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide
CID 57291743
3-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide
CID 90825451
5-(3-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethyl-1H-imidazol-3-ium-2-one
CID 123419863

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea (CID 57161067) is 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea is CC1ONC(c2ccc(F)cc2)=C1CN(O)C(N)=O.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea?
The InChIKey is FUSZHZMKVBKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-7-10(6-16(18)12(14)17)11(15-19-7)8-2-4-9(13)5-3-8/h2-5,7,15,18H,6H2,1H3,(H2,14,17).
What are the key properties of 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea?
1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea has a molecular weight of 267.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea is sourced from PubChem (CID 57161067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).