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

C13H17N3O3 — CID 116701803

IUPAC4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
SMILESCCC(OC)c1noc(CNc2ccc(O)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-3-11(18-2)13-15-12(19-16-13)8-14-9-4-6-10(17)7-5-9/h4-7,11,14,17H,3,8H2,1-2H3
InChIKeyHNDSRIULAVVTPA-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.48
Rot. Bonds6

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

4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol (PubChem CID 116701803) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol.

Molecular Properties

Compound Name4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
PubChem CID116701803
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
SMILESCCC(OC)c1noc(CNc2ccc(O)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-3-11(18-2)13-15-12(19-16-13)8-14-9-4-6-10(17)7-5-9/h4-7,11,14,17H,3,8H2,1-2H3
InChIKeyHNDSRIULAVVTPA-UHFFFAOYSA-N
XLogP2.48
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
N-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
CID 116702383
4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 102926821
N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116701643
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116701700
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106527240
4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol
CID 116806831
2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116702620
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The IUPAC name of 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol (CID 116701803) is 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol.
What is the SMILES notation for 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The canonical SMILES for 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol is CCC(OC)c1noc(CNc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The InChIKey is HNDSRIULAVVTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-11(18-2)13-15-12(19-16-13)8-14-9-4-6-10(17)7-5-9/h4-7,11,14,17H,3,8H2,1-2H3.
What are the key properties of 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol has a molecular weight of 263.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol is sourced from PubChem (CID 116701803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).