4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol

C14H19N3O4 — CID 102926821

IUPAC4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol
SMILESCOCCOCCc1noc(CNc2ccc(O)cc2)n1
InChIInChI=1S/C14H19N3O4/c1-19-8-9-20-7-6-13-16-14(21-17-13)10-15-11-2-4-12(18)5-3-11/h2-5,15,18H,6-10H2,1H3
InChIKeyPSLXJHAZPAPAIT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.59
Rot. Bonds9

About 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol

4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol (PubChem CID 102926821) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol.

Molecular Properties

Compound Name4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol
PubChem CID102926821
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol
SMILESCOCCOCCc1noc(CNc2ccc(O)cc2)n1
InChIInChI=1S/C14H19N3O4/c1-19-8-9-20-7-6-13-16-14(21-17-13)10-15-11-2-4-12(18)5-3-11/h2-5,15,18H,6-10H2,1H3
InChIKeyPSLXJHAZPAPAIT-UHFFFAOYSA-N
XLogP1.59
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65094649
4-chloro-N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 106814591
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 103145890
4-chloro-N-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 103146434
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 116701803
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751338
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707049
2,4,5-trifluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 84599390
4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106527762
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 102926746

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The IUPAC name of 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol (CID 102926821) is 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol.
What is the SMILES notation for 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The canonical SMILES for 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol is COCCOCCc1noc(CNc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The InChIKey is PSLXJHAZPAPAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-19-8-9-20-7-6-13-16-14(21-17-13)10-15-11-2-4-12(18)5-3-11/h2-5,15,18H,6-10H2,1H3.
What are the key properties of 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol?
4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol has a molecular weight of 293.32 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol is sourced from PubChem (CID 102926821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).