2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol

C10H12N2O3S — CID 121303700

IUPAC2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc(CO)cs2)no1
InChIInChI=1S/C10H12N2O3S/c1-10(2,14)8-3-7(12-15-8)9-11-6(4-13)5-16-9/h3,5,13-14H,4H2,1-2H3
InChIKeyLVBVDSCHIDQOCY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.52
Rot. Bonds3

About 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol

2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 121303700) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
PubChem CID121303700
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc(CO)cs2)no1
InChIInChI=1S/C10H12N2O3S/c1-10(2,14)8-3-7(12-15-8)9-11-6(4-13)5-16-9/h3,5,13-14H,4H2,1-2H3
InChIKeyLVBVDSCHIDQOCY-UHFFFAOYSA-N
XLogP1.52
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol (CID 121303700) is 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol is CC(C)(O)c1cc(-c2nc(CO)cs2)no1.
What is the InChIKey of 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is LVBVDSCHIDQOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-10(2,14)8-3-7(12-15-8)9-11-6(4-13)5-16-9/h3,5,13-14H,4H2,1-2H3.
What are the key properties of 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol?
2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 240.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 121303700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).