(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one

C19H16ClN3O2S — CID 7661232

IUPAC(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H16ClN3O2S/c1-12(18(24)23-10-9-13-5-2-3-8-16(13)23)26-19-22-21-17(25-19)14-6-4-7-15(20)11-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
InChIKeyGIPWIUSPVHCMSP-LBPRGKRZSA-N
MW385.88 g/mol
LogP4.46
Rot. Bonds4

About (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one

(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 7661232) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID7661232
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H16ClN3O2S/c1-12(18(24)23-10-9-13-5-2-3-8-16(13)23)26-19-22-21-17(25-19)14-6-4-7-15(20)11-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
InChIKeyGIPWIUSPVHCMSP-LBPRGKRZSA-N
XLogP4.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-1-(2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
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CID 29375917
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
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(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9382662
(2R)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7284149
(2R)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
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2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 7661232) is (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one is C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is GIPWIUSPVHCMSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-12(18(24)23-10-9-13-5-2-3-8-16(13)23)26-19-22-21-17(25-19)14-6-4-7-15(20)11-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 385.88 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 7661232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).