1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea

C15H14N2O3 — CID 21293764

IUPAC1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
SMILESCC(c1cccc2c1oc1ccccc12)N(O)C(N)=O
InChIInChI=1S/C15H14N2O3/c1-9(17(19)15(16)18)10-6-4-7-12-11-5-2-3-8-13(11)20-14(10)12/h2-9,19H,1H3,(H2,16,18)
InChIKeyPPQAHTIYGWRVQU-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.42
Rot. Bonds2

About 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea

1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea (PubChem CID 21293764) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea.

Molecular Properties

Compound Name1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
PubChem CID21293764
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
SMILESCC(c1cccc2c1oc1ccccc12)N(O)C(N)=O
InChIInChI=1S/C15H14N2O3/c1-9(17(19)15(16)18)10-6-4-7-12-11-5-2-3-8-13(11)20-14(10)12/h2-9,19H,1H3,(H2,16,18)
InChIKeyPPQAHTIYGWRVQU-UHFFFAOYSA-N
XLogP3.42
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dibenzofuran-4-ylethane-1,2-diamine
CID 66517310
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
1-dibenzofuran-4-ylethanone
CID 15691981
1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
CID 21293770
2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid
CID 54393001
2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid
CID 59570449
ethyl (2S)-2-dibenzofuran-4-yloxypropanoate
CID 129404181
1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
CID 21245321
4-propan-2-yl-1-benzofuran-2-carboxamide
CID 155602033
dibenzofuran-4-carboximidamide
CID 142482098
4-(dimethoxymethyl)xanthen-9-one
CID 154941110
N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide
CID 23767729

Frequently Asked Questions

What is the IUPAC name of 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea?
The IUPAC name of 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea (CID 21293764) is 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea.
What is the SMILES notation for 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea?
The canonical SMILES for 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea is CC(c1cccc2c1oc1ccccc12)N(O)C(N)=O.
What is the InChIKey of 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea?
The InChIKey is PPQAHTIYGWRVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9(17(19)15(16)18)10-6-4-7-12-11-5-2-3-8-13(11)20-14(10)12/h2-9,19H,1H3,(H2,16,18).
What are the key properties of 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea?
1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea has a molecular weight of 270.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea is sourced from PubChem (CID 21293764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).