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

C20H23N3O2 — CID 69099723

IUPAC4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol
SMILESCC(C)c1nc(-c2ccc(CNCCc3ccc(O)cc3)cc2)no1
InChIInChI=1S/C20H23N3O2/c1-14(2)20-22-19(23-25-20)17-7-3-16(4-8-17)13-21-12-11-15-5-9-18(24)10-6-15/h3-10,14,21,24H,11-13H2,1-2H3
InChIKeyWAVDIZGWMZZWOW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.90
Rot. Bonds7

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

4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol (PubChem CID 69099723) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol
PubChem CID69099723
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol
SMILESCC(C)c1nc(-c2ccc(CNCCc3ccc(O)cc3)cc2)no1
InChIInChI=1S/C20H23N3O2/c1-14(2)20-22-19(23-25-20)17-7-3-16(4-8-17)13-21-12-11-15-5-9-18(24)10-6-15/h3-10,14,21,24H,11-13H2,1-2H3
InChIKeyWAVDIZGWMZZWOW-UHFFFAOYSA-N
XLogP3.90
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]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

4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541
4-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135973748
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581185
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635
3-[[4-[5-[1,2-bis(3,5-dimethylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propanoic acid
CID 174704681
(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119999979
methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate
CID 10595430
4-[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775553

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol (CID 69099723) is 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol is CC(C)c1nc(-c2ccc(CNCCc3ccc(O)cc3)cc2)no1.
What is the InChIKey of 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol?
The InChIKey is WAVDIZGWMZZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)20-22-19(23-25-20)17-7-3-16(4-8-17)13-21-12-11-15-5-9-18(24)10-6-15/h3-10,14,21,24H,11-13H2,1-2H3.
What are the key properties of 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol?
4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol has a molecular weight of 337.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol is sourced from PubChem (CID 69099723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).