3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C10H13N3O2S — CID 95849400

IUPAC3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESCC[C@H](N)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C10H13N3O2S/c1-2-7(11)6-13-10(14)15-9(12-13)8-4-3-5-16-8/h3-5,7H,2,6,11H2,1H3/t7-/m0/s1
InChIKeyNEUBFFVEKQJMCH-ZETCQYMHSA-N
MW239.30 g/mol
LogP1.30
Rot. Bonds4

About 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 95849400) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID95849400
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESCC[C@H](N)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C10H13N3O2S/c1-2-7(11)6-13-10(14)15-9(12-13)8-4-3-5-16-8/h3-5,7H,2,6,11H2,1H3/t7-/m0/s1
InChIKeyNEUBFFVEKQJMCH-ZETCQYMHSA-N
XLogP1.30
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one 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

3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 95791882
3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
CID 95791881
5-thiophen-2-yl-3-[(2,4,6-trimethylphenyl)methyl]-1,3,4-oxadiazol-2-one
CID 60590586
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 38135695
1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide
CID 16671716
[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
CID 34006331
(2-ethoxyphenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639971
[2-(N-ethylanilino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46640401

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 95849400) is 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is CC[C@H](N)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is NEUBFFVEKQJMCH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-7(11)6-13-10(14)15-9(12-13)8-4-3-5-16-8/h3-5,7H,2,6,11H2,1H3/t7-/m0/s1.
What are the key properties of 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 239.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 95849400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).