N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C17H20N4O3S — CID 72907544

IUPACN-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc(CN(CC)C(=O)Cn2sc3ccccc3c2=O)no1
InChIInChI=1S/C17H20N4O3S/c1-3-7-15-18-14(19-24-15)10-20(4-2)16(22)11-21-17(23)12-8-5-6-9-13(12)25-21/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyDFFLCRCFJPEXEY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.45
Rot. Bonds7

About N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 72907544) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID72907544
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc(CN(CC)C(=O)Cn2sc3ccccc3c2=O)no1
InChIInChI=1S/C17H20N4O3S/c1-3-7-15-18-14(19-24-15)10-20(4-2)16(22)11-21-17(23)12-8-5-6-9-13(12)25-21/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyDFFLCRCFJPEXEY-UHFFFAOYSA-N
XLogP2.45
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
CID 162631833
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
N-methyl-3-[(3-oxo-1,2-benzothiazol-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 72927237
N-[2-[5-[2-(3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 154789299
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70770191
3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121495878
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 71851650
N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 46995525
2-(3,3-dimethyl-2-oxobutyl)-1,2-benzothiazol-3-one
CID 138578978
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 50956228
N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 97278275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 72907544) is N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCCc1nc(CN(CC)C(=O)Cn2sc3ccccc3c2=O)no1.
What is the InChIKey of N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is DFFLCRCFJPEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-3-7-15-18-14(19-24-15)10-20(4-2)16(22)11-21-17(23)12-8-5-6-9-13(12)25-21/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 72907544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).