3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

C16H19N5O3S2 — CID 26466645

IUPAC3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCCc1nnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1
InChIInChI=1S/C16H19N5O3S2/c1-2-3-4-7-13-18-19-15(26-13)17-12(22)8-9-21-16(23)24-14(20-21)11-6-5-10-25-11/h5-6,10H,2-4,7-9H2,1H3,(H,17,19,22)
InChIKeyWOOKBLPZYMKFHM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.18
Rot. Bonds9

About 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 26466645) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID26466645
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC Name3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCCc1nnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1
InChIInChI=1S/C16H19N5O3S2/c1-2-3-4-7-13-18-19-15(26-13)17-12(22)8-9-21-16(23)24-14(20-21)11-6-5-10-25-11/h5-6,10H,2-4,7-9H2,1H3,(H,17,19,22)
InChIKeyWOOKBLPZYMKFHM-UHFFFAOYSA-N
XLogP3.18
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 18096150
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26954542
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807050
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
CID 108744035
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081150
4-tert-butyl-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]benzohydrazide
CID 24514379
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3706333

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide (CID 26466645) is 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide is CCCCCc1nnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1.
What is the InChIKey of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is WOOKBLPZYMKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c1-2-3-4-7-13-18-19-15(26-13)17-12(22)8-9-21-16(23)24-14(20-21)11-6-5-10-25-11/h5-6,10H,2-4,7-9H2,1H3,(H,17,19,22).
What are the key properties of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 26466645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).