1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea

C12H15N3O3 — CID 15388853

IUPAC1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
SMILESCC(C1CC(c2ccccc2)=NO1)N(O)C(N)=O
InChIInChI=1S/C12H15N3O3/c1-8(15(17)12(13)16)11-7-10(14-18-11)9-5-3-2-4-6-9/h2-6,8,11,17H,7H2,1H3,(H2,13,16)
InChIKeyYQZJQUUAPWYKQW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.34
Rot. Bonds3

About 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea

1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea (PubChem CID 15388853) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
PubChem CID15388853
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
SMILESCC(C1CC(c2ccccc2)=NO1)N(O)C(N)=O
InChIInChI=1S/C12H15N3O3/c1-8(15(17)12(13)16)11-7-10(14-18-11)9-5-3-2-4-6-9/h2-6,8,11,17H,7H2,1H3,(H2,13,16)
InChIKeyYQZJQUUAPWYKQW-UHFFFAOYSA-N
XLogP1.34
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.34
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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Related Compounds

1-Ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea
CID 24711954
3-Tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 24712152
1-{[3-(3-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-1-methyl-3-(propan-2-YL)urea
CID 24712259
3-Tert-butyl-1-methyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790502
1-{[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-1-(prop-2-EN-1-YL)-3-(propan-2-YL)urea
CID 24711962
3-Ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea
CID 24712061
3-Ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-prop-2-enylurea
CID 24712254
1-[1-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
CID 15388855
1-Hydroxy-1-[1-[3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]urea
CID 15388856
(+/-)-N-[[4,5-dihydro-3-(4-fluorophenyl)-5-isoxazolyl]methyl]acetamide
CID 15462730
1-[[3-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]methyl]-1-hydroxyurea
CID 19426799
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
CID 19426836

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea (CID 15388853) is 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea is CC(C1CC(c2ccccc2)=NO1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The InChIKey is YQZJQUUAPWYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(15(17)12(13)16)11-7-10(14-18-11)9-5-3-2-4-6-9/h2-6,8,11,17H,7H2,1H3,(H2,13,16).
What are the key properties of 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea has a molecular weight of 249.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea is sourced from PubChem (CID 15388853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).