(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one

C19H21N3O3S — CID 8511061

IUPAC(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C4CCCCC4)o3)cc21
InChIInChI=1S/C19H21N3O3S/c1-11-14-9-13(7-8-15(14)20-17(11)24)16(23)10-26-19-22-21-18(25-19)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,20,24)/t11-/m0/s1
InChIKeyHOYAYVLVIKCFLO-NSHDSACASA-N
MW371.46 g/mol
LogP4.15
Rot. Bonds5

About (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one

(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 8511061) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID8511061
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C4CCCCC4)o3)cc21
InChIInChI=1S/C19H21N3O3S/c1-11-14-9-13(7-8-15(14)20-17(11)24)16(23)10-26-19-22-21-18(25-19)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,20,24)/t11-/m0/s1
InChIKeyHOYAYVLVIKCFLO-NSHDSACASA-N
XLogP4.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8511054
1-(3-chloro-4-methoxyphenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 8506030
N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide
CID 9487650
(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8886329
(3R)-5-[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 51469334
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62590738
(3S)-5-[2-[[5-(4-methoxyphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 25362255
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 7957401
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
3-cyclopropyl-2-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 8982143
(3S)-3-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 9288861
(3S)-5-[2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 41036971

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one (CID 8511061) is (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one is C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C4CCCCC4)o3)cc21.
What is the InChIKey of (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is HOYAYVLVIKCFLO-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-11-14-9-13(7-8-15(14)20-17(11)24)16(23)10-26-19-22-21-18(25-19)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,20,24)/t11-/m0/s1.
What are the key properties of (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one?
(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 371.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 8511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).