N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

C17H19N3O2S — CID 24979391

IUPACN,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)c1nc2c(C)cccc2s1
InChIInChI=1S/C17H19N3O2S/c1-5-12-14(11(4)22-19-12)16(21)20(6-2)17-18-15-10(3)8-7-9-13(15)23-17/h7-9H,5-6H2,1-4H3
InChIKeyVVVZFLARTYQGAY-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.13
Rot. Bonds4

About N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 24979391) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID24979391
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)c1nc2c(C)cccc2s1
InChIInChI=1S/C17H19N3O2S/c1-5-12-14(11(4)22-19-12)16(21)20(6-2)17-18-15-10(3)8-7-9-13(15)23-17/h7-9H,5-6H2,1-4H3
InChIKeyVVVZFLARTYQGAY-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 24979391) is N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(CC)c1nc2c(C)cccc2s1.
What is the InChIKey of N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is VVVZFLARTYQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-5-12-14(11(4)22-19-12)16(21)20(6-2)17-18-15-10(3)8-7-9-13(15)23-17/h7-9H,5-6H2,1-4H3.
What are the key properties of N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24979391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).