3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one

C10H13N3O4S — CID 66150041

IUPAC3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
SMILESCn1c(CO)cnc1SCC(=O)N1CCOC1=O
InChIInChI=1S/C10H13N3O4S/c1-12-7(5-14)4-11-9(12)18-6-8(15)13-2-3-17-10(13)16/h4,14H,2-3,5-6H2,1H3
InChIKeyNASOTFIJHWNHPQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.02
Rot. Bonds4

About 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one

3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one (PubChem CID 66150041) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
PubChem CID66150041
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
SMILESCn1c(CO)cnc1SCC(=O)N1CCOC1=O
InChIInChI=1S/C10H13N3O4S/c1-12-7(5-14)4-11-9(12)18-6-8(15)13-2-3-17-10(13)16/h4,14H,2-3,5-6H2,1H3
InChIKeyNASOTFIJHWNHPQ-UHFFFAOYSA-N
XLogP-0.02
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one (CID 66150041) is 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one is Cn1c(CO)cnc1SCC(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one?
The InChIKey is NASOTFIJHWNHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-12-7(5-14)4-11-9(12)18-6-8(15)13-2-3-17-10(13)16/h4,14H,2-3,5-6H2,1H3.
What are the key properties of 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one?
3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one has a molecular weight of 271.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66150041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).