4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride

C15H13Cl2N3O2 — CID 127026210

IUPAC4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride
SMILESCl.Oc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C15H12ClN3O2.ClH/c16-11-3-1-10(2-4-11)15-19-18-14(21-15)9-17-12-5-7-13(20)8-6-12;/h1-8,17,20H,9H2;1H
InChIKeyGVKVKSBTRRHOMR-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.13
Rot. Bonds4

About 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride

4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride (PubChem CID 127026210) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride
PubChem CID127026210
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride
SMILESCl.Oc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C15H12ClN3O2.ClH/c16-11-3-1-10(2-4-11)15-19-18-14(21-15)9-17-12-5-7-13(20)8-6-12;/h1-8,17,20H,9H2;1H
InChIKeyGVKVKSBTRRHOMR-UHFFFAOYSA-N
XLogP4.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
4-[5-[(2,6-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 155810761
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652526
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propan-2-ylaniline
CID 78793132
2-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652461
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448
4-chloro-3-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 62132332
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110652403
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)aniline
CID 78795445
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110652520

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride (CID 127026210) is 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride is Cl.Oc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride?
The InChIKey is GVKVKSBTRRHOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.ClH/c16-11-3-1-10(2-4-11)15-19-18-14(21-15)9-17-12-5-7-13(20)8-6-12;/h1-8,17,20H,9H2;1H.
What are the key properties of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride?
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride has a molecular weight of 338.19 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride is sourced from PubChem (CID 127026210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).