3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid

C7H10N2O3S — CID 62255415

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
SMILESCc1nnc(SC(C)CC(=O)O)o1
InChIInChI=1S/C7H10N2O3S/c1-4(3-6(10)11)13-7-9-8-5(2)12-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyFXSGRKQXFGVVND-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.33
Rot. Bonds4

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid (PubChem CID 62255415) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
PubChem CID62255415
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
SMILESCc1nnc(SC(C)CC(=O)O)o1
InChIInChI=1S/C7H10N2O3S/c1-4(3-6(10)11)13-7-9-8-5(2)12-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyFXSGRKQXFGVVND-UHFFFAOYSA-N
XLogP1.33
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol
CID 126976025
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 75649599
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 51432520
2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid
CID 4770941
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone
CID 40951262
2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63033819
methyl 2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 62255417
N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
CID 64633889
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 9373833
3-(6-chloropyridazin-3-yl)sulfanylbutanoic acid
CID 66113022

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid (CID 62255415) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid is Cc1nnc(SC(C)CC(=O)O)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
The InChIKey is FXSGRKQXFGVVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4(3-6(10)11)13-7-9-8-5(2)12-7/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid has a molecular weight of 202.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid is sourced from PubChem (CID 62255415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).