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

C11H12ClN3O3 — CID 110456448

IUPAC4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESCOCCc1nnc(Nc2cc(Cl)ccc2O)o1
InChIInChI=1S/C11H12ClN3O3/c1-17-5-4-10-14-15-11(18-10)13-8-6-7(12)2-3-9(8)16/h2-3,6,16H,4-5H2,1H3,(H,13,15)
InChIKeyNMBNTAWMNQRDSF-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.36
Rot. Bonds5

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

4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol (PubChem CID 110456448) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol
PubChem CID110456448
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESCOCCc1nnc(Nc2cc(Cl)ccc2O)o1
InChIInChI=1S/C11H12ClN3O3/c1-17-5-4-10-14-15-11(18-10)13-8-6-7(12)2-3-9(8)16/h2-3,6,16H,4-5H2,1H3,(H,13,15)
InChIKeyNMBNTAWMNQRDSF-UHFFFAOYSA-N
XLogP2.36
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968952
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
5-(chloromethyl)-N-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106958967
5-[(tert-butylamino)methyl]-N-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966090
N-(5-chloro-2-fluorophenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968954
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
N-(5-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956705
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
N-(3-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968508
5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456109

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The IUPAC name of 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol (CID 110456448) is 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The canonical SMILES for 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol is COCCc1nnc(Nc2cc(Cl)ccc2O)o1.
What is the InChIKey of 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
The InChIKey is NMBNTAWMNQRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-17-5-4-10-14-15-11(18-10)13-8-6-7(12)2-3-9(8)16/h2-3,6,16H,4-5H2,1H3,(H,13,15).
What are the key properties of 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol?
4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol has a molecular weight of 269.69 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol is sourced from PubChem (CID 110456448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).