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

C13H15N3O3 — CID 65329992

IUPAC4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
SMILESOc1ccc(NCc2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C13H15N3O3/c17-11-3-1-10(2-4-11)14-7-12-15-13(16-19-12)9-5-6-18-8-9/h1-4,9,14,17H,5-8H2
InChIKeyAKFVBVCPVZJLNL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.89
Rot. Bonds4

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

4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol (PubChem CID 65329992) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol.

Molecular Properties

Compound Name4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
PubChem CID65329992
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
SMILESOc1ccc(NCc2nc(C3CCOC3)no2)cc1
InChIInChI=1S/C13H15N3O3/c17-11-3-1-10(2-4-11)14-7-12-15-13(16-19-12)9-5-6-18-8-9/h1-4,9,14,17H,5-8H2
InChIKeyAKFVBVCPVZJLNL-UHFFFAOYSA-N
XLogP1.89
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.89
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

4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 64981819
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
CID 47283180
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The IUPAC name of 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol (CID 65329992) is 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol.
What is the SMILES notation for 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The canonical SMILES for 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol is Oc1ccc(NCc2nc(C3CCOC3)no2)cc1.
What is the InChIKey of 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
The InChIKey is AKFVBVCPVZJLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11-3-1-10(2-4-11)14-7-12-15-13(16-19-12)9-5-6-18-8-9/h1-4,9,14,17H,5-8H2.
What are the key properties of 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol?
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol has a molecular weight of 261.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol is sourced from PubChem (CID 65329992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).