2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one

C12H10N2O4S — CID 2815174

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCc1cc(CN2C(=O)c3ccccc3S2(=O)=O)no1
InChIInChI=1S/C12H10N2O4S/c1-8-6-9(13-18-8)7-14-12(15)10-4-2-3-5-11(10)19(14,16)17/h2-6H,7H2,1H3
InChIKeyISCBVTHLPPSFNH-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.33
Rot. Bonds2

About 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 2815174) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID2815174
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCc1cc(CN2C(=O)c3ccccc3S2(=O)=O)no1
InChIInChI=1S/C12H10N2O4S/c1-8-6-9(13-18-8)7-14-12(15)10-4-2-3-5-11(10)19(14,16)17/h2-6H,7H2,1H3
InChIKeyISCBVTHLPPSFNH-UHFFFAOYSA-N
XLogP1.33
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CID 2815174) is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is Cc1cc(CN2C(=O)c3ccccc3S2(=O)=O)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is ISCBVTHLPPSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-8-6-9(13-18-8)7-14-12(15)10-4-2-3-5-11(10)19(14,16)17/h2-6H,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 278.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 2815174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).