1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea

C12H13N3O3 — CID 10514629

IUPAC1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea
SMILESCC(c1ccc(-c2ccccn2)o1)N(O)C(N)=O
InChIInChI=1S/C12H13N3O3/c1-8(15(17)12(13)16)10-5-6-11(18-10)9-4-2-3-7-14-9/h2-8,17H,1H3,(H2,13,16)
InChIKeyZZYYAJQBEKNROQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.17
Rot. Bonds3

About 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea

1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea (PubChem CID 10514629) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea
PubChem CID10514629
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea
SMILESCC(c1ccc(-c2ccccn2)o1)N(O)C(N)=O
InChIInChI=1S/C12H13N3O3/c1-8(15(17)12(13)16)10-5-6-11(18-10)9-4-2-3-7-14-9/h2-8,17H,1H3,(H2,13,16)
InChIKeyZZYYAJQBEKNROQ-UHFFFAOYSA-N
XLogP2.17
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.17
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-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea (CID 10514629) is 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea is CC(c1ccc(-c2ccccn2)o1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea?
The InChIKey is ZZYYAJQBEKNROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8(15(17)12(13)16)10-5-6-11(18-10)9-4-2-3-7-14-9/h2-8,17H,1H3,(H2,13,16).
What are the key properties of 1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea?
1-hydroxy-1-[1-(5-pyridin-2-ylfuran-2-yl)ethyl]urea has a molecular weight of 247.25 g/mol, XLogP of 2.17, 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-(5-pyridin-2-ylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 10514629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).