(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine

C22H24N2O3 — CID 99965866

IUPAC(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCOc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1
InChIInChI=1S/C22H24N2O3/c1-25-19-9-7-17(8-10-19)15-24-13-14-27-22(24)18-11-12-23(16-18)20-5-3-4-6-21(20)26-2/h3-12,16,22H,13-15H2,1-2H3/t22-/m0/s1
InChIKeyDEOSRNXELFKPND-QFIPXVFZSA-N
MW364.45 g/mol
LogP4.03
Rot. Bonds6

About (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine

(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine (PubChem CID 99965866) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
PubChem CID99965866
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCOc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1
InChIInChI=1S/C22H24N2O3/c1-25-19-9-7-17(8-10-19)15-24-13-14-27-22(24)18-11-12-23(16-18)20-5-3-4-6-21(20)26-2/h3-12,16,22H,13-15H2,1-2H3/t22-/m0/s1
InChIKeyDEOSRNXELFKPND-QFIPXVFZSA-N
XLogP4.03
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132655325
(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965339
3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650753
(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965690
3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650877
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965812
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 132652888
(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 99965351
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965476

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The IUPAC name of (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine (CID 99965866) is (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The canonical SMILES for (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine is COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1.
What is the InChIKey of (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The InChIKey is DEOSRNXELFKPND-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-25-19-9-7-17(8-10-19)15-24-13-14-27-22(24)18-11-12-23(16-18)20-5-3-4-6-21(20)26-2/h3-12,16,22H,13-15H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine has a molecular weight of 364.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 99965866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).