(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H27N3O3 — CID 166618464

IUPAC(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)CCc2c(C)noc2C)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H27N3O3/c1-4-7-19-22(17-8-5-6-9-18(17)23-21(22)27)12-13-25(19)20(26)11-10-16-14(2)24-28-15(16)3/h5-6,8-9,19H,4,7,10-13H2,1-3H3,(H,23,27)/t19-,22-/m0/s1
InChIKeyMVVQRKSIPFIYQF-UGKGYDQZSA-N
MW381.48 g/mol
LogP3.52
Rot. Bonds5

About (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166618464) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166618464
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)CCc2c(C)noc2C)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H27N3O3/c1-4-7-19-22(17-8-5-6-9-18(17)23-21(22)27)12-13-25(19)20(26)11-10-16-14(2)24-28-15(16)3/h5-6,8-9,19H,4,7,10-13H2,1-3H3,(H,23,27)/t19-,22-/m0/s1
InChIKeyMVVQRKSIPFIYQF-UGKGYDQZSA-N
XLogP3.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
CID 165421143
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613051
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612568
2-[2-oxo-2-[(2'S,3R)-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethoxy]acetamide
CID 166621885
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619328

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166618464) is (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)CCc2c(C)noc2C)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MVVQRKSIPFIYQF-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-7-19-22(17-8-5-6-9-18(17)23-21(22)27)12-13-25(19)20(26)11-10-16-14(2)24-28-15(16)3/h5-6,8-9,19H,4,7,10-13H2,1-3H3,(H,23,27)/t19-,22-/m0/s1.
What are the key properties of (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166618464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).