3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one

C14H14N2O3S — CID 146144048

IUPAC3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one
SMILESCOCc1cc(Cn2c(=O)sc3c(C)cccc32)no1
InChIInChI=1S/C14H14N2O3S/c1-9-4-3-5-12-13(9)20-14(17)16(12)7-10-6-11(8-18-2)19-15-10/h3-6H,7-8H2,1-2H3
InChIKeyHQKFVGLZTKGZQL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.55
Rot. Bonds4

About 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one

3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one (PubChem CID 146144048) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one
PubChem CID146144048
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one
SMILESCOCc1cc(Cn2c(=O)sc3c(C)cccc32)no1
InChIInChI=1S/C14H14N2O3S/c1-9-4-3-5-12-13(9)20-14(17)16(12)7-10-6-11(8-18-2)19-15-10/h3-6H,7-8H2,1-2H3
InChIKeyHQKFVGLZTKGZQL-UHFFFAOYSA-N
XLogP2.55
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one (CID 146144048) is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one is COCc1cc(Cn2c(=O)sc3c(C)cccc32)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one?
The InChIKey is HQKFVGLZTKGZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-4-3-5-12-13(9)20-14(17)16(12)7-10-6-11(8-18-2)19-15-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one?
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 146144048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).