N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide

C17H16FN3O3S — CID 16879701

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCO2)c2nc3ccc(F)cc3s2)on1
InChIInChI=1S/C17H16FN3O3S/c1-10-7-14(24-20-10)16(22)21(9-12-3-2-6-23-12)17-19-13-5-4-11(18)8-15(13)25-17/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyNDMSVTUFNGNNCL-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.56
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 16879701) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID16879701
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCO2)c2nc3ccc(F)cc3s2)on1
InChIInChI=1S/C17H16FN3O3S/c1-10-7-14(24-20-10)16(22)21(9-12-3-2-6-23-12)17-19-13-5-4-11(18)8-15(13)25-17/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyNDMSVTUFNGNNCL-UHFFFAOYSA-N
XLogP3.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718562
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589900
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989787
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 16952642
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879677
3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 30702482
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589915
4-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8703077
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989739
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8719354

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 16879701) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CC2CCCO2)c2nc3ccc(F)cc3s2)on1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is NDMSVTUFNGNNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-10-7-14(24-20-10)16(22)21(9-12-3-2-6-23-12)17-19-13-5-4-11(18)8-15(13)25-17/h4-5,7-8,12H,2-3,6,9H2,1H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16879701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).