1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea

C13H13FN2O4 — CID 10684116

IUPAC1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
InChIInChI=1S/C13H13FN2O4/c1-8(16(18)13(15)17)11-6-7-12(20-11)19-10-4-2-9(14)3-5-10/h2-8,18H,1H3,(H2,15,17)
InChIKeyWTFHWRBWGRYFSD-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea

1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea (PubChem CID 10684116) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea
PubChem CID10684116
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
InChIInChI=1S/C13H13FN2O4/c1-8(16(18)13(15)17)11-6-7-12(20-11)19-10-4-2-9(14)3-5-10/h2-8,18H,1H3,(H2,15,17)
InChIKeyWTFHWRBWGRYFSD-UHFFFAOYSA-N
XLogP3.04
TPSA88.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.04
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-[5-(4-fluorophenoxy)furan-2-yl]ethanol
CID 10751490
1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 6603738
4-(4-fluorophenoxy)benzamide
CID 22142233
1-[1-[3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethyl]-1-hydroxyurea
CID 57013220
[4-[5-[[(2R)-2-(carbamoylamino)propyl]-hydroxycarbamoyl]furan-2-yl]oxyphenyl] thiohypofluorite
CID 22860871
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
CID 19868741
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
[4-(4-fluorophenoxy)phenyl]methyl N,N-bis(1-sulfanylethyl)carbamate
CID 88744731
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
2-(4-fluorophenoxy)propanoic acid
CID 3872140
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 25468617
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea (CID 10684116) is 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea is CC(c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O.
What is the InChIKey of 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea?
The InChIKey is WTFHWRBWGRYFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-8(16(18)13(15)17)11-6-7-12(20-11)19-10-4-2-9(14)3-5-10/h2-8,18H,1H3,(H2,15,17).
What are the key properties of 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea?
1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea has a molecular weight of 280.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea is sourced from PubChem (CID 10684116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).