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

C21H22N2O3 — CID 99965339

IUPAC(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCOc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2OC)c1
InChIInChI=1S/C21H22N2O3/c1-24-19-9-5-3-7-17(19)22-12-11-16(15-22)21-23(13-14-26-21)18-8-4-6-10-20(18)25-2/h3-12,15,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyULTZKPUSBXWXMG-NRFANRHFSA-N
MW350.42 g/mol
LogP4.03
Rot. Bonds5

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

(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine (PubChem CID 99965339) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
PubChem CID99965339
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCOc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2OC)c1
InChIInChI=1S/C21H22N2O3/c1-24-19-9-5-3-7-17(19)22-12-11-16(15-22)21-23(13-14-26-21)18-8-4-6-10-20(18)25-2/h3-12,15,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyULTZKPUSBXWXMG-NRFANRHFSA-N
XLogP4.03
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 132652888
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 99965351
(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965866
(2R)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99965464
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
(2S)-3-(4-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965538
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965219
3-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658690
3-phenyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132653976
2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841
(2R)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965416

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The IUPAC name of (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine (CID 99965339) is (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The canonical SMILES for (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine is COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2OC)c1.
What is the InChIKey of (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The InChIKey is ULTZKPUSBXWXMG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-24-19-9-5-3-7-17(19)22-12-11-16(15-22)21-23(13-14-26-21)18-8-4-6-10-20(18)25-2/h3-12,15,21H,13-14H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine?
(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine has a molecular weight of 350.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 99965339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).