3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one

C22H24N2O3 — CID 58393847

IUPAC3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C22H24N2O3/c25-22-24(12-13-26-22)17-7-5-8-18(15-17)27-21-19-9-2-1-6-16(19)14-20(21)23-10-3-4-11-23/h1-2,5-9,15,20-21H,3-4,10-14H2/t20-,21-/m0/s1
InChIKeyARBQZRTYZNKOMB-SFTDATJTSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds4

About 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one

3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58393847) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID58393847
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C22H24N2O3/c25-22-24(12-13-26-22)17-7-5-8-18(15-17)27-21-19-9-2-1-6-16(19)14-20(21)23-10-3-4-11-23/h1-2,5-9,15,20-21H,3-4,10-14H2/t20-,21-/m0/s1
InChIKeyARBQZRTYZNKOMB-SFTDATJTSA-N
XLogP3.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one (CID 58393847) is 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1.
What is the InChIKey of 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ARBQZRTYZNKOMB-SFTDATJTSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22-24(12-13-26-22)17-7-5-8-18(15-17)27-21-19-9-2-1-6-16(19)14-20(21)23-10-3-4-11-23/h1-2,5-9,15,20-21H,3-4,10-14H2/t20-,21-/m0/s1.
What are the key properties of 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58393847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).