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

C12H15N3O3 — CID 57120100

IUPAC1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
SMILESCC(C1C=C(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/h2-8,11,14,17H,1H3,(H2,13,16)
InChIKeyBMZQDMQLLAUZFO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.09
Rot. Bonds3

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

1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea (PubChem CID 57120100) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
PubChem CID57120100
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
SMILESCC(C1C=C(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/h2-8,11,14,17H,1H3,(H2,13,16)
InChIKeyBMZQDMQLLAUZFO-UHFFFAOYSA-N
XLogP1.09
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea (CID 57120100) is 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea is CC(C1C=C(c2ccccc2)NO1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The InChIKey is BMZQDMQLLAUZFO-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/h2-8,11,14,17H,1H3,(H2,13,16).
What are the key properties of 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea has a molecular weight of 249.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea is sourced from PubChem (CID 57120100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).