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

C11H12FN3O3 — CID 57012206

IUPAC1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C11H12FN3O3/c12-8-3-1-7(2-4-8)10-5-9(18-14-10)6-15(17)11(13)16/h1-5,9,14,17H,6H2,(H2,13,16)
InChIKeyICZKGVLVVZFOHI-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.84
Rot. Bonds3

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

1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea (PubChem CID 57012206) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
PubChem CID57012206
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C11H12FN3O3/c12-8-3-1-7(2-4-8)10-5-9(18-14-10)6-15(17)11(13)16/h1-5,9,14,17H,6H2,(H2,13,16)
InChIKeyICZKGVLVVZFOHI-UHFFFAOYSA-N
XLogP0.84
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.84
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-[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
1-[[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea
CID 57161067
N-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57233056
3-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide
CID 90825451
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91220190
5-(3-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethyl-1H-imidazol-3-ium-2-one
CID 123419863
3-phenyl-5H-1,2-oxazole-2-carboxamide
CID 15556256
1-Hydroxy-1-[1-[3-(4-propan-2-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]urea
CID 57039301

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea (CID 57012206) is 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea is NC(=O)N(O)CC1C=C(c2ccc(F)cc2)NO1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea?
The InChIKey is ICZKGVLVVZFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-8-3-1-7(2-4-8)10-5-9(18-14-10)6-15(17)11(13)16/h1-5,9,14,17H,6H2,(H2,13,16).
What are the key properties of 1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea?
1-[[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea has a molecular weight of 253.23 g/mol, XLogP of 0.84, 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)-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea is sourced from PubChem (CID 57012206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).