[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol

C14H9ClINO2 — CID 91681454

IUPAC[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1
InChIInChI=1S/C14H9ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2
InChIKeySKROEZXDHMAHQX-UHFFFAOYSA-N
MW385.59 g/mol
LogP4.25
Rot. Bonds2

About [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol

[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 91681454) has the molecular formula C14H9ClINO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID91681454
Molecular FormulaC14H9ClINO2
Molecular Weight385.59 g/mol
Exact Mass384.94
IUPAC Name[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1
InChIInChI=1S/C14H9ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2
InChIKeySKROEZXDHMAHQX-UHFFFAOYSA-N
XLogP4.25
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol (CID 91681454) is [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1.
What is the InChIKey of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is SKROEZXDHMAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO2/c15-11-3-2-9(16)6-10(11)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2.
What are the key properties of [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol?
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 385.59 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 91681454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).