[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C12H18N4O2S — CID 111536880

IUPAC[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCCCCc1nc(CSc2ncc(CO)n2C)no1
InChIInChI=1S/C12H18N4O2S/c1-3-4-5-11-14-10(15-18-11)8-19-12-13-6-9(7-17)16(12)2/h6,17H,3-5,7-8H2,1-2H3
InChIKeyFKRHJISPCKVMQB-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.93
Rot. Bonds7

About [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 111536880) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID111536880
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCCCCc1nc(CSc2ncc(CO)n2C)no1
InChIInChI=1S/C12H18N4O2S/c1-3-4-5-11-14-10(15-18-11)8-19-12-13-6-9(7-17)16(12)2/h6,17H,3-5,7-8H2,1-2H3
InChIKeyFKRHJISPCKVMQB-UHFFFAOYSA-N
XLogP1.93
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-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-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
5-butyl-3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 47069698
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 60564239
5-butyl-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 51091376
N-heptan-2-yl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66152125
5-butyl-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60564242
[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149604
[2-[(2,6-dichloro-3-pyridinyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 106994866
[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
CID 107421679
4-butyl-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 46529954
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420

Frequently Asked Questions

What is the IUPAC name of [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 111536880) is [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is CCCCc1nc(CSc2ncc(CO)n2C)no1.
What is the InChIKey of [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is FKRHJISPCKVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-4-5-11-14-10(15-18-11)8-19-12-13-6-9(7-17)16(12)2/h6,17H,3-5,7-8H2,1-2H3.
What are the key properties of [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 282.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 111536880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).