4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol

C14H9Cl2N3O2 — CID 176729719

IUPAC4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESOc1ccc(Cl)cc1Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H9Cl2N3O2/c15-9-3-1-8(2-4-9)13-18-19-14(21-13)17-11-7-10(16)5-6-12(11)20/h1-7,20H,(H,17,19)
InChIKeyLBNJDILEAVNTGK-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.49
Rot. Bonds3

About 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol

4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol (PubChem CID 176729719) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
PubChem CID176729719
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESOc1ccc(Cl)cc1Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H9Cl2N3O2/c15-9-3-1-8(2-4-9)13-18-19-14(21-13)17-11-7-10(16)5-6-12(11)20/h1-7,20H,(H,17,19)
InChIKeyLBNJDILEAVNTGK-UHFFFAOYSA-N
XLogP4.49
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575
4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 110456448
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
5-(4-chlorophenyl)-N-dianilinophosphoryl-1,3,4-oxadiazol-2-amine
CID 12533205
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid
CID 178127977
4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1257317
4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
CID 137250320
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
CID 178127775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The IUPAC name of 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol (CID 176729719) is 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The canonical SMILES for 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol is Oc1ccc(Cl)cc1Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The InChIKey is LBNJDILEAVNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-3-1-8(2-4-9)13-18-19-14(21-13)17-11-7-10(16)5-6-12(11)20/h1-7,20H,(H,17,19).
What are the key properties of 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol has a molecular weight of 322.15 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol is sourced from PubChem (CID 176729719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).