4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol

C14H9IN2O2 — CID 135971468

IUPAC4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1
InChIInChI=1S/C14H9IN2O2/c15-11-5-1-9(2-6-11)13-16-17-14(19-13)10-3-7-12(18)8-4-10/h1-8,18H
InChIKeyBFBJCVRLMQHOGJ-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.71
Rot. Bonds2

About 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol

4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135971468) has the molecular formula C14H9IN2O2 and a molecular weight of 364.14 g/mol. Its IUPAC name is 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135971468
Molecular FormulaC14H9IN2O2
Molecular Weight364.14 g/mol
Exact Mass363.97
IUPAC Name4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1
InChIInChI=1S/C14H9IN2O2/c15-11-5-1-9(2-6-11)13-16-17-14(19-13)10-3-7-12(18)8-4-10/h1-8,18H
InChIKeyBFBJCVRLMQHOGJ-UHFFFAOYSA-N
XLogP3.71
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2740991
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CID 706782
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CID 300765
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CID 855989
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CID 865999
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CID 70059
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CID 200672
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 135971468) is 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is BFBJCVRLMQHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-11-5-1-9(2-6-11)13-16-17-14(19-13)10-3-7-12(18)8-4-10/h1-8,18H.
What are the key properties of 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 364.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135971468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).