N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C17H15F2N3O3S — CID 40967699

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)no1
InChIInChI=1S/C17H15F2N3O3S/c1-9-5-13(21-25-9)16(23)22(8-11-3-2-4-24-11)17-20-15-12(19)6-10(18)7-14(15)26-17/h5-7,11H,2-4,8H2,1H3/t11-/m0/s1
InChIKeyAELONMCBJYOHJU-NSHDSACASA-N
MW379.39 g/mol
LogP3.70
Rot. Bonds4

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 40967699) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID40967699
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)no1
InChIInChI=1S/C17H15F2N3O3S/c1-9-5-13(21-25-9)16(23)22(8-11-3-2-4-24-11)17-20-15-12(19)6-10(18)7-14(15)26-17/h5-7,11H,2-4,8H2,1H3/t11-/m0/s1
InChIKeyAELONMCBJYOHJU-NSHDSACASA-N
XLogP3.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989703
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8719385
N-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 40967638
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 16925048
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879701
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 16952642
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97069352
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989779
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718515
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989787
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879677
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8702954

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 40967699) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)no1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AELONMCBJYOHJU-NSHDSACASA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-9-5-13(21-25-9)16(23)22(8-11-3-2-4-24-11)17-20-15-12(19)6-10(18)7-14(15)26-17/h5-7,11H,2-4,8H2,1H3/t11-/m0/s1.
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 40967699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).