(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

C14H11N3O3S — CID 135840762

IUPAC(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C14H11N3O3S/c18-13-11(5-6-19-13)21-14-17-16-12(20-14)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,11,15H,5-6H2/t11-/m0/s1
InChIKeyISQKOXINOZMTDW-NSHDSACASA-N
MW301.33 g/mol
LogP2.63
Rot. Bonds3

About (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 135840762) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID135840762
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C14H11N3O3S/c18-13-11(5-6-19-13)21-14-17-16-12(20-14)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,11,15H,5-6H2/t11-/m0/s1
InChIKeyISQKOXINOZMTDW-NSHDSACASA-N
XLogP2.63
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-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-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 4313904
(3S)-3-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 975525
(3R)-3-[[4-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 136919145
(3S)-3-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2464014
(3R)-3-[[5-(1H-indol-3-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 135940555
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
(3R)-3-[[4-(furan-2-ylmethyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 135898105
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
(2S)-N-cyclohexyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 135840718
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (CID 135840762) is (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is O=C1OCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is ISQKOXINOZMTDW-NSHDSACASA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-13-11(5-6-19-13)21-14-17-16-12(20-14)9-7-15-10-4-2-1-3-8(9)10/h1-4,7,11,15H,5-6H2/t11-/m0/s1.
What are the key properties of (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 301.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 135840762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).