2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol

C17H19N3O2S — CID 56753323

IUPAC2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol
SMILESCSc1ccc(-c2nc(Cn3cc(CCO)cn3)c(C)o2)cc1
InChIInChI=1S/C17H19N3O2S/c1-12-16(11-20-10-13(7-8-21)9-18-20)19-17(22-12)14-3-5-15(23-2)6-4-14/h3-6,9-10,21H,7-8,11H2,1-2H3
InChIKeyVIDHFWSSZNVSPV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.15
Rot. Bonds6

About 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol

2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol (PubChem CID 56753323) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol
PubChem CID56753323
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol
SMILESCSc1ccc(-c2nc(Cn3cc(CCO)cn3)c(C)o2)cc1
InChIInChI=1S/C17H19N3O2S/c1-12-16(11-20-10-13(7-8-21)9-18-20)19-17(22-12)14-3-5-15(23-2)6-4-14/h3-6,9-10,21H,7-8,11H2,1-2H3
InChIKeyVIDHFWSSZNVSPV-UHFFFAOYSA-N
XLogP3.15
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol with MolForge

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Related Compounds

5-methyl-2-(4-methylsulfanylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56748791
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95468992
4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 56752749
2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 20860212
[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 133116636
4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837391
2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 82220028
5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 95221363
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56878040
N-methyl-2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56861117
2-[4-(4-methylsulfanylphenyl)phenyl]ethanol
CID 2760093
(3R)-3-methyl-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 95560870

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol (CID 56753323) is 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol is CSc1ccc(-c2nc(Cn3cc(CCO)cn3)c(C)o2)cc1.
What is the InChIKey of 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol?
The InChIKey is VIDHFWSSZNVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-16(11-20-10-13(7-8-21)9-18-20)19-17(22-12)14-3-5-15(23-2)6-4-14/h3-6,9-10,21H,7-8,11H2,1-2H3.
What are the key properties of 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol?
2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol has a molecular weight of 329.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 56753323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).