1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea

C15H15FN2O4 — CID 10686077

IUPAC1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea
SMILESCC(/C=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
InChIInChI=1S/C15H15FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h2-10,20H,1H3,(H2,17,19)/b5-2-
InChIKeyRTJJFGMMZKIEBW-DJWKRKHSSA-N
MW306.29 g/mol
LogP3.38
Rot. Bonds5

About 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea

1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea (PubChem CID 10686077) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea
PubChem CID10686077
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea
SMILESCC(/C=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
InChIInChI=1S/C15H15FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h2-10,20H,1H3,(H2,17,19)/b5-2-
InChIKeyRTJJFGMMZKIEBW-DJWKRKHSSA-N
XLogP3.38
TPSA88.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.38
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-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea?
The IUPAC name of 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea (CID 10686077) is 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea.
What is the SMILES notation for 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea?
The canonical SMILES for 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea is CC(/C=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O.
What is the InChIKey of 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea?
The InChIKey is RTJJFGMMZKIEBW-DJWKRKHSSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h2-10,20H,1H3,(H2,17,19)/b5-2-.
What are the key properties of 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea?
1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea has a molecular weight of 306.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-en-2-yl]-1-hydroxyurea is sourced from PubChem (CID 10686077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).