5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C12H16N2O3S — CID 124621499

IUPAC5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1occc1[S@](=O)[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C12H16N2O3S/c1-7(2)11-13-12(17-14-11)9(4)18(15)10-5-6-16-8(10)3/h5-7,9H,1-4H3/t9-,18+/m0/s1
InChIKeyGAGRANLSAXUGMY-NIVTXAMTSA-N
MW268.34 g/mol
LogP2.96
Rot. Bonds4

About 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 124621499) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID124621499
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1occc1[S@](=O)[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C12H16N2O3S/c1-7(2)11-13-12(17-14-11)9(4)18(15)10-5-6-16-8(10)3/h5-7,9H,1-4H3/t9-,18+/m0/s1
InChIKeyGAGRANLSAXUGMY-NIVTXAMTSA-N
XLogP2.96
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole 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-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole
CID 124621517
3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 97204799
5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95330475
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43108532
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559660
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
CID 94219173
4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole
CID 124621495
4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
CID 94219172

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 124621499) is 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1occc1[S@](=O)[C@@H](C)c1nc(C(C)C)no1.
What is the InChIKey of 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is GAGRANLSAXUGMY-NIVTXAMTSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7(2)11-13-12(17-14-11)9(4)18(15)10-5-6-16-8(10)3/h5-7,9H,1-4H3/t9-,18+/m0/s1.
What are the key properties of 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 268.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 124621499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).