(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

C21H21N3O2S — CID 7418033

IUPAC(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SMILESCc1ccccc1-c1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)o1
InChIInChI=1S/C21H21N3O2S/c1-13-8-4-6-10-17(13)19-22-23-21(26-19)27-15(3)20(25)24-14(2)12-16-9-5-7-11-18(16)24/h4-11,14-15H,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyZCSSLLHGSDFZAQ-HUUCEWRRSA-N
MW379.49 g/mol
LogP4.50
Rot. Bonds4

About (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (PubChem CID 7418033) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
PubChem CID7418033
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SMILESCc1ccccc1-c1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)o1
InChIInChI=1S/C21H21N3O2S/c1-13-8-4-6-10-17(13)19-22-23-21(26-19)27-15(3)20(25)24-14(2)12-16-9-5-7-11-18(16)24/h4-11,14-15H,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyZCSSLLHGSDFZAQ-HUUCEWRRSA-N
XLogP4.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7277522
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 43008196
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7646738
(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7262996
N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524477
(2R)-1-(4-ethylpiperazin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7683111
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 42972217
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-4-ylsulfanylpropan-1-one
CID 97024890
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 43026910
(2S)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 9440720
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 42976936
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-2-ylsulfanylpropan-1-one
CID 41299266

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The IUPAC name of (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (CID 7418033) is (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The canonical SMILES for (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one is Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)o1.
What is the InChIKey of (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The InChIKey is ZCSSLLHGSDFZAQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13-8-4-6-10-17(13)19-22-23-21(26-19)27-15(3)20(25)24-14(2)12-16-9-5-7-11-18(16)24/h4-11,14-15H,12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one has a molecular weight of 379.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one is sourced from PubChem (CID 7418033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).