2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

C8H12N2O3S — CID 43148603

IUPAC2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESCCC(C)c1nnc(SCC(=O)O)o1
InChIInChI=1S/C8H12N2O3S/c1-3-5(2)7-9-10-8(13-7)14-4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyCOSBIOCNRZZRCA-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.76
Rot. Bonds5

About 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 43148603) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
PubChem CID43148603
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESCCC(C)c1nnc(SCC(=O)O)o1
InChIInChI=1S/C8H12N2O3S/c1-3-5(2)7-9-10-8(13-7)14-4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyCOSBIOCNRZZRCA-UHFFFAOYSA-N
XLogP1.76
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid 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

2-[[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 43148602
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 933237
2-[[5-[1-(3-methoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 53263716
2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 936397
N-(3-methylbutan-2-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42932674
methyl 2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006660
1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 5008650
2-[[5-[(1R,2S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CID 42558398
2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 666348
N-(4-ethylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5111587
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 22694244

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (CID 43148603) is 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is CCC(C)c1nnc(SCC(=O)O)o1.
What is the InChIKey of 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is COSBIOCNRZZRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-3-5(2)7-9-10-8(13-7)14-4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 216.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 43148603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).