[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol

C20H19N3O2S — CID 56740026

IUPAC[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESCc1ccccc1-c1nc(Cn2cc(CO)c(-c3cccs3)n2)c(C)o1
InChIInChI=1S/C20H19N3O2S/c1-13-6-3-4-7-16(13)20-21-17(14(2)25-20)11-23-10-15(12-24)19(22-23)18-8-5-9-26-18/h3-10,24H,11-12H2,1-2H3
InChIKeyAFUIHCNFLODGHE-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.42
Rot. Bonds5

About [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol

[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol (PubChem CID 56740026) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
PubChem CID56740026
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESCc1ccccc1-c1nc(Cn2cc(CO)c(-c3cccs3)n2)c(C)o1
InChIInChI=1S/C20H19N3O2S/c1-13-6-3-4-7-16(13)20-21-17(14(2)25-20)11-23-10-15(12-24)19(22-23)18-8-5-9-26-18/h3-10,24H,11-12H2,1-2H3
InChIKeyAFUIHCNFLODGHE-UHFFFAOYSA-N
XLogP4.42
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol (CID 56740026) is [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol is Cc1ccccc1-c1nc(Cn2cc(CO)c(-c3cccs3)n2)c(C)o1.
What is the InChIKey of [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The InChIKey is AFUIHCNFLODGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-6-3-4-7-16(13)20-21-17(14(2)25-20)11-23-10-15(12-24)19(22-23)18-8-5-9-26-18/h3-10,24H,11-12H2,1-2H3.
What are the key properties of [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol has a molecular weight of 365.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 56740026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).