7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one

C16H17N3O3S — CID 97189786

IUPAC7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
SMILESCc1ccc2c(c1)SCC(=O)N2Cc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H17N3O3S/c1-10-4-5-11-13(7-10)23-9-15(20)19(11)8-14-17-16(22-18-14)12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3/t12-/m0/s1
InChIKeyOWEPKGWDTCHNET-LBPRGKRZSA-N
MW331.40 g/mol
LogP2.87
Rot. Bonds3

About 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one

7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one (PubChem CID 97189786) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
PubChem CID97189786
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
SMILESCc1ccc2c(c1)SCC(=O)N2Cc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H17N3O3S/c1-10-4-5-11-13(7-10)23-9-15(20)19(11)8-14-17-16(22-18-14)12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3/t12-/m0/s1
InChIKeyOWEPKGWDTCHNET-LBPRGKRZSA-N
XLogP2.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one with MolForge

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Related Compounds

4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 135118136
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 91842118
methyl 1-oxo-2-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]isoquinoline-7-carboxylate
CID 97195665
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 97198798
2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
CID 72859561
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 135099312
3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide
CID 97151461
N-methyl-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 72935863
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one (CID 97189786) is 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one is Cc1ccc2c(c1)SCC(=O)N2Cc1noc([C@@H]2CCCO2)n1.
What is the InChIKey of 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
The InChIKey is OWEPKGWDTCHNET-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-4-5-11-13(7-10)23-9-15(20)19(11)8-14-17-16(22-18-14)12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one?
7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one has a molecular weight of 331.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 97189786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).