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

C19H22N2O2 — CID 94002536

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1
InChIInChI=1S/C19H22N2O2/c1-13-10-17(20-23-13)18-6-3-9-21(18)19(22)12-14-7-8-15-4-2-5-16(15)11-14/h7-8,10-11,18H,2-6,9,12H2,1H3/t18-/m1/s1
InChIKeyJZURHHIWDZAHJW-GOSISDBHSA-N
MW310.40 g/mol
LogP3.38
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 94002536) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID94002536
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1
InChIInChI=1S/C19H22N2O2/c1-13-10-17(20-23-13)18-6-3-9-21(18)19(22)12-14-7-8-15-4-2-5-16(15)11-14/h7-8,10-11,18H,2-6,9,12H2,1H3/t18-/m1/s1
InChIKeyJZURHHIWDZAHJW-GOSISDBHSA-N
XLogP3.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (CID 94002536) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is Cc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is JZURHHIWDZAHJW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-10-17(20-23-13)18-6-3-9-21(18)19(22)12-14-7-8-15-4-2-5-16(15)11-14/h7-8,10-11,18H,2-6,9,12H2,1H3/t18-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94002536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).