2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

C19H21N3O2 — CID 94813166

IUPAC2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc([C@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)no1
InChIInChI=1S/C19H21N3O2/c1-13-10-16(20-24-13)18-8-5-9-22(18)19(23)11-14-12-21(2)17-7-4-3-6-15(14)17/h3-4,6-7,10,12,18H,5,8-9,11H2,1-2H3/t18-/m1/s1
InChIKeyBYTSBWYRRFIPSB-GOSISDBHSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 94813166) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID94813166
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc([C@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)no1
InChIInChI=1S/C19H21N3O2/c1-13-10-16(20-24-13)18-8-5-9-22(18)19(23)11-14-12-21(2)17-7-4-3-6-15(14)17/h3-4,6-7,10,12,18H,5,8-9,11H2,1-2H3/t18-/m1/s1
InChIKeyBYTSBWYRRFIPSB-GOSISDBHSA-N
XLogP3.38
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-3-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813165
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91775202
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94002536
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
2-[benzyl(methyl)amino]-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 51097378
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
2-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzaldehyde
CID 136522860

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (CID 94813166) is 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is Cc1cc([C@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)no1.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BYTSBWYRRFIPSB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-10-16(20-24-13)18-8-5-9-22(18)19(23)11-14-12-21(2)17-7-4-3-6-15(14)17/h3-4,6-7,10,12,18H,5,8-9,11H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94813166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).