2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C18H15ClN2O2S — CID 2646153

IUPAC2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C18H15ClN2O2S/c1-11-8-12-4-2-3-5-15(12)21(11)17(22)10-24-18-20-14-9-13(19)6-7-16(14)23-18/h2-7,9,11H,8,10H2,1H3/t11-/m1/s1
InChIKeyOVRZCTWNAUXOFE-LLVKDONJSA-N
MW358.85 g/mol
LogP4.55
Rot. Bonds3

About 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 2646153) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID2646153
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C18H15ClN2O2S/c1-11-8-12-4-2-3-5-15(12)21(11)17(22)10-24-18-20-14-9-13(19)6-7-16(14)23-18/h2-7,9,11H,8,10H2,1H3/t11-/m1/s1
InChIKeyOVRZCTWNAUXOFE-LLVKDONJSA-N
XLogP4.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2346559
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CID 51140007
7-chloro-3-(4-chlorophenyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4536880
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CID 7347294
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1139555
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 4024619
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 4809640
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 23768615
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2370472
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2028772
5-chloro-2-(2-methylprop-2-enylsulfanyl)-1,3-benzoxazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 2646153) is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is OVRZCTWNAUXOFE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-11-8-12-4-2-3-5-15(12)21(11)17(22)10-24-18-20-14-9-13(19)6-7-16(14)23-18/h2-7,9,11H,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 358.85 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 2646153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).