2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol

C14H9IN2O3 — CID 1049844

IUPAC2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccco2)nc1/C=N/c1ccc(I)cc1
InChIInChI=1S/C14H9IN2O3/c15-9-3-5-10(6-4-9)16-8-11-14(18)20-13(17-11)12-2-1-7-19-12/h1-8,18H/b16-8+
InChIKeyACDSDEVDPLWSFV-LZYBPNLTSA-N
MW380.14 g/mol
LogP4.00
Rot. Bonds3

About 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol

2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 1049844) has the molecular formula C14H9IN2O3 and a molecular weight of 380.14 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID1049844
Molecular FormulaC14H9IN2O3
Molecular Weight380.14 g/mol
Exact Mass379.97
IUPAC Name2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccco2)nc1/C=N/c1ccc(I)cc1
InChIInChI=1S/C14H9IN2O3/c15-9-3-5-10(6-4-9)16-8-11-14(18)20-13(17-11)12-2-1-7-19-12/h1-8,18H/b16-8+
InChIKeyACDSDEVDPLWSFV-LZYBPNLTSA-N
XLogP4.00
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol (CID 1049844) is 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol is Oc1oc(-c2ccco2)nc1/C=N/c1ccc(I)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is ACDSDEVDPLWSFV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H9IN2O3/c15-9-3-5-10(6-4-9)16-8-11-14(18)20-13(17-11)12-2-1-7-19-12/h1-8,18H/b16-8+.
What are the key properties of 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 380.14 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 1049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).