N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H16N4O3S — CID 3245948

IUPACN-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-13-8-6-12(7-9-13)18-22-17(26-23-18)11-10-16(24)21-19-20-14-4-2-3-5-15(14)27-19/h2-9H,10-11H2,1H3,(H,20,21,24)
InChIKeyJDTLLLHNZJXPOO-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.93
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3245948) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3245948
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-13-8-6-12(7-9-13)18-22-17(26-23-18)11-10-16(24)21-19-20-14-4-2-3-5-15(14)27-19/h2-9H,10-11H2,1H3,(H,20,21,24)
InChIKeyJDTLLLHNZJXPOO-UHFFFAOYSA-N
XLogP3.93
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971
N-(1,3-benzothiazol-2-yl)-2-{[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
CID 12005916
(2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135924160
N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2196101
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
CID 2196287
N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2950559
3-Benzothiazol-2-yl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3156101
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 3241885
N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-({[(1E)-1-(4-methoxyphenyl)ethylidene]amino}oxy)acetamide
CID 9619111
3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)propanamide
CID 25033941
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 884862
N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2197444

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3245948) is N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JDTLLLHNZJXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-13-8-6-12(7-9-13)18-22-17(26-23-18)11-10-16(24)21-19-20-14-4-2-3-5-15(14)27-19/h2-9H,10-11H2,1H3,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 380.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).