N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide

C17H19N3O2S — CID 24817803

IUPACN-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(CC(C)C)c1nc2ccccc2s1
InChIInChI=1S/C17H19N3O2S/c1-10(2)9-20(16(21)15-11(3)19-22-12(15)4)17-18-13-7-5-6-8-14(13)23-17/h5-8,10H,9H2,1-4H3
InChIKeyRIKGSBWMLXWYLE-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.20
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 24817803) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID24817803
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(CC(C)C)c1nc2ccccc2s1
InChIInChI=1S/C17H19N3O2S/c1-10(2)9-20(16(21)15-11(3)19-22-12(15)4)17-18-13-7-5-6-8-14(13)23-17/h5-8,10H,9H2,1-4H3
InChIKeyRIKGSBWMLXWYLE-UHFFFAOYSA-N
XLogP4.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-4-nitrobenzamide
CID 7733341
N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide
CID 7948646
N-(1,3-benzothiazol-2-yl)-2-(3,4-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 2479771
(E)-N-(1,3-benzothiazol-2-yl)-3-(5-bromofuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 2123810
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800
(E)-N-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 8894169
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9469242
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 43853387
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 25469078
N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide
CID 2498617

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide (CID 24817803) is N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(CC(C)C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RIKGSBWMLXWYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(2)9-20(16(21)15-11(3)19-22-12(15)4)17-18-13-7-5-6-8-14(13)23-17/h5-8,10H,9H2,1-4H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 4.20, 4 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-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24817803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).