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

C16H17N5O2S — CID 18148953

IUPAC3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)Nc3nnc(C)s3)n2)cc1
InChIInChI=1S/C16H17N5O2S/c1-3-11-4-6-12(7-5-11)15-18-14(23-21-15)9-8-13(22)17-16-20-19-10(2)24-16/h4-7H,3,8-9H2,1-2H3,(H,17,20,22)
InChIKeyBVDOOLLQMPPTJI-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.03
Rot. Bonds6

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

3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 18148953) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID18148953
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)Nc3nnc(C)s3)n2)cc1
InChIInChI=1S/C16H17N5O2S/c1-3-11-4-6-12(7-5-11)15-18-14(23-21-15)9-8-13(22)17-16-20-19-10(2)24-16/h4-7H,3,8-9H2,1-2H3,(H,17,20,22)
InChIKeyBVDOOLLQMPPTJI-UHFFFAOYSA-N
XLogP3.03
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029
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-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16619167
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354611
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134011961
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17354575
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566411
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 16622178
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17344209
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 55818368

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 18148953) is 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1ccc(-c2noc(CCC(=O)Nc3nnc(C)s3)n2)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BVDOOLLQMPPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-11-4-6-12(7-5-11)15-18-14(23-21-15)9-8-13(22)17-16-20-19-10(2)24-16/h4-7H,3,8-9H2,1-2H3,(H,17,20,22).
What are the key properties of 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 18148953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).