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

C9H9N3O3S — CID 134025163

IUPAC3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESNC(=O)CCn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C9H9N3O3S/c10-7(13)3-4-12-9(14)15-8(11-12)6-2-1-5-16-6/h1-2,5H,3-4H2,(H2,10,13)
InChIKeyHYEVCNJTZYLLQB-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.44
Rot. Bonds4

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

3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (PubChem CID 134025163) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
PubChem CID134025163
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESNC(=O)CCn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C9H9N3O3S/c10-7(13)3-4-12-9(14)15-8(11-12)6-2-1-5-16-6/h1-2,5H,3-4H2,(H2,10,13)
InChIKeyHYEVCNJTZYLLQB-UHFFFAOYSA-N
XLogP0.44
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639960
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94448175
(2-ethoxyphenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639971
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 24522576
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46675949
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
[2-(N-ethylanilino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46640401
4-tert-butyl-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]benzohydrazide
CID 24514379
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
[4-(4-fluorobenzoyl)phenyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 18283481
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (CID 134025163) is 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is NC(=O)CCn1nc(-c2cccs2)oc1=O.
What is the InChIKey of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The InChIKey is HYEVCNJTZYLLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-7(13)3-4-12-9(14)15-8(11-12)6-2-1-5-16-6/h1-2,5H,3-4H2,(H2,10,13).
What are the key properties of 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide has a molecular weight of 239.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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)propanamide is sourced from PubChem (CID 134025163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).