N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C17H19N3O2S — CID 70760810

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)on1
InChIInChI=1S/C17H19N3O2S/c1-11(2)8-12-9-14(22-19-12)17(21)20(3)10-16-18-13-6-4-5-7-15(13)23-16/h4-7,9,11H,8,10H2,1-3H3
InChIKeyHLQYTCJSRBODJX-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.76
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70760810) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70760810
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)on1
InChIInChI=1S/C17H19N3O2S/c1-11(2)8-12-9-14(22-19-12)17(21)20(3)10-16-18-13-6-4-5-7-15(13)23-16/h4-7,9,11H,8,10H2,1-3H3
InChIKeyHLQYTCJSRBODJX-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9393068
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N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70760810) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)on1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is HLQYTCJSRBODJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(2)8-12-9-14(22-19-12)17(21)20(3)10-16-18-13-6-4-5-7-15(13)23-16/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70760810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).