3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one

C13H15N5O2S — CID 36563987

IUPAC3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(-n2nnnc2SCCN2CCOC2=O)cc1
InChIInChI=1S/C13H15N5O2S/c1-10-2-4-11(5-3-10)18-12(14-15-16-18)21-9-7-17-6-8-20-13(17)19/h2-5H,6-9H2,1H3
InChIKeyLOQRUILOXSNXLW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.52
Rot. Bonds5

About 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one

3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one (PubChem CID 36563987) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one
PubChem CID36563987
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(-n2nnnc2SCCN2CCOC2=O)cc1
InChIInChI=1S/C13H15N5O2S/c1-10-2-4-11(5-3-10)18-12(14-15-16-18)21-9-7-17-6-8-20-13(17)19/h2-5H,6-9H2,1H3
InChIKeyLOQRUILOXSNXLW-UHFFFAOYSA-N
XLogP1.52
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one (CID 36563987) is 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one is Cc1ccc(-n2nnnc2SCCN2CCOC2=O)cc1.
What is the InChIKey of 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
The InChIKey is LOQRUILOXSNXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-10-2-4-11(5-3-10)18-12(14-15-16-18)21-9-7-17-6-8-20-13(17)19/h2-5H,6-9H2,1H3.
What are the key properties of 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one has a molecular weight of 305.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 36563987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).