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

C10H12ClN5O2S — CID 71296489

IUPAC3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2nc(CCl)no2)s1
InChIInChI=1S/C10H12ClN5O2S/c1-2-9-14-15-10(19-9)13-7(17)3-4-8-12-6(5-11)16-18-8/h2-5H2,1H3,(H,13,15,17)
InChIKeyWGCKPZPVQXCFLS-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.79
Rot. Bonds6

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

3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 71296489) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID71296489
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2nc(CCl)no2)s1
InChIInChI=1S/C10H12ClN5O2S/c1-2-9-14-15-10(19-9)13-7(17)3-4-8-12-6(5-11)16-18-8/h2-5H2,1H3,(H,13,15,17)
InChIKeyWGCKPZPVQXCFLS-UHFFFAOYSA-N
XLogP1.79
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354611
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50748267
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18089569
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46980739
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17354575
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71828845
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18148953
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 40715870
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869

Frequently Asked Questions

What is the IUPAC name of 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 71296489) is 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCc2nc(CCl)no2)s1.
What is the InChIKey of 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is WGCKPZPVQXCFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-2-9-14-15-10(19-9)13-7(17)3-4-8-12-6(5-11)16-18-8/h2-5H2,1H3,(H,13,15,17).
What are the key properties of 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 301.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 71296489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).