[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol

C15H16N4O2S — CID 99798765

IUPAC[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol
SMILESC[C@@H](Sc1ncc(CO)n1C)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O2S/c1-10(22-15-16-8-12(9-20)19(15)2)13-17-14(21-18-13)11-6-4-3-5-7-11/h3-8,10,20H,9H2,1-2H3/t10-/m1/s1
InChIKeyRTHRTRDZOGYNPA-SNVBAGLBSA-N
MW316.39 g/mol
LogP2.82
Rot. Bonds5

About [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol

[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol (PubChem CID 99798765) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol
PubChem CID99798765
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol
SMILESC[C@@H](Sc1ncc(CO)n1C)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O2S/c1-10(22-15-16-8-12(9-20)19(15)2)13-17-14(21-18-13)11-6-4-3-5-7-11/h3-8,10,20H,9H2,1-2H3/t10-/m1/s1
InChIKeyRTHRTRDZOGYNPA-SNVBAGLBSA-N
XLogP2.82
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol 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-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole
CID 99794601
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
5-phenyl-3-[(1S)-1-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 99794593
5-(3-methoxyphenyl)-3-[1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 10385957
(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol
CID 12569999
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide
CID 66150872
N-butan-2-yl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpropanamide
CID 66150443
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 111536944
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66149021

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol (CID 99798765) is [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol is C[C@@H](Sc1ncc(CO)n1C)c1noc(-c2ccccc2)n1.
What is the InChIKey of [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol?
The InChIKey is RTHRTRDZOGYNPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10(22-15-16-8-12(9-20)19(15)2)13-17-14(21-18-13)11-6-4-3-5-7-11/h3-8,10,20H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol?
[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol has a molecular weight of 316.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol is sourced from PubChem (CID 99798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).