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

C13H16N4O2 — CID 116806831

IUPAC4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol
SMILESOc1ccc(NCc2nc(N3CCCC3)no2)cc1
InChIInChI=1S/C13H16N4O2/c18-11-5-3-10(4-6-11)14-9-12-15-13(16-19-12)17-7-1-2-8-17/h3-6,14,18H,1-2,7-9H2
InChIKeyBFCKTDVOLZIMNT-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.99
Rot. Bonds4

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

4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol (PubChem CID 116806831) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol
PubChem CID116806831
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol
SMILESOc1ccc(NCc2nc(N3CCCC3)no2)cc1
InChIInChI=1S/C13H16N4O2/c18-11-5-3-10(4-6-11)14-9-12-15-13(16-19-12)17-7-1-2-8-17/h3-6,14,18H,1-2,7-9H2
InChIKeyBFCKTDVOLZIMNT-UHFFFAOYSA-N
XLogP1.99
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 116806728
N-[3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 116806613
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 116701803
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
4-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 102926821
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol?
The IUPAC name of 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol (CID 116806831) is 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol.
What is the SMILES notation for 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol?
The canonical SMILES for 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol is Oc1ccc(NCc2nc(N3CCCC3)no2)cc1.
What is the InChIKey of 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol?
The InChIKey is BFCKTDVOLZIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-11-5-3-10(4-6-11)14-9-12-15-13(16-19-12)17-7-1-2-8-17/h3-6,14,18H,1-2,7-9H2.
What are the key properties of 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol?
4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol has a molecular weight of 260.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylamino]phenol is sourced from PubChem (CID 116806831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).