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

C20H18N4O2S — CID 16619167

IUPACN-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1
InChIInChI=1S/C20H18N4O2S/c1-2-13-7-9-14(10-8-13)19-23-18(26-24-19)12-11-17(25)22-20-21-15-5-3-4-6-16(15)27-20/h3-10H,2,11-12H2,1H3,(H,21,22,25)
InChIKeyJJBHADAHFIPVJX-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.48
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 16619167) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID16619167
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1
InChIInChI=1S/C20H18N4O2S/c1-2-13-7-9-14(10-8-13)19-23-18(26-24-19)12-11-17(25)22-20-21-15-5-3-4-6-16(15)27-20/h3-10H,2,11-12H2,1H3,(H,21,22,25)
InChIKeyJJBHADAHFIPVJX-UHFFFAOYSA-N
XLogP4.48
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18148953
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 16619188
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24622345
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198249
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26708481
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 16622178
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8571614
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134011961
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216008
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 16619167) is N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JJBHADAHFIPVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-13-7-9-14(10-8-13)19-23-18(26-24-19)12-11-17(25)22-20-21-15-5-3-4-6-16(15)27-20/h3-10H,2,11-12H2,1H3,(H,21,22,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 378.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 16619167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).