3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one

C22H21Cl3N2O4 — CID 67311074

IUPAC3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Cl)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C22H21Cl3N2O4/c23-12-7-16-15(18(25)8-12)10-19(26-4-3-14(28)11-26)21(16)31-20-9-13(1-2-17(20)24)27-5-6-30-22(27)29/h1-2,7-9,14,19,21,28H,3-6,10-11H2/t14-,19-,21+/m1/s1
InChIKeyKERVTRUHAUZCBW-MMACOIQUSA-N
MW483.78 g/mol
LogP4.71
Rot. Bonds4

About 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one

3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 67311074) has the molecular formula C22H21Cl3N2O4 and a molecular weight of 483.78 g/mol. Its IUPAC name is 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID67311074
Molecular FormulaC22H21Cl3N2O4
Molecular Weight483.78 g/mol
Exact Mass482.06
IUPAC Name3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Cl)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C22H21Cl3N2O4/c23-12-7-16-15(18(25)8-12)10-19(26-4-3-14(28)11-26)21(16)31-20-9-13(1-2-17(20)24)27-5-6-30-22(27)29/h1-2,7-9,14,19,21,28H,3-6,10-11H2/t14-,19-,21+/m1/s1
InChIKeyKERVTRUHAUZCBW-MMACOIQUSA-N
XLogP4.71
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one (CID 67311074) is 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(Cl)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2N2CC[C@@H](O)C2)c1.
What is the InChIKey of 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KERVTRUHAUZCBW-MMACOIQUSA-N. The full InChI is InChI=1S/C22H21Cl3N2O4/c23-12-7-16-15(18(25)8-12)10-19(26-4-3-14(28)11-26)21(16)31-20-9-13(1-2-17(20)24)27-5-6-30-22(27)29/h1-2,7-9,14,19,21,28H,3-6,10-11H2/t14-,19-,21+/m1/s1.
What are the key properties of 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one?
3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 483.78 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67311074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).