(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine

C22H24N2O2 — CID 99965262

IUPAC(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-25-21-10-8-19(9-11-21)23-13-12-18(16-23)22-24(14-15-26-22)20-6-4-17(2)5-7-20/h4-13,16,22H,3,14-15H2,1-2H3/t22-/m0/s1
InChIKeyPAAZGFWBKFMJFT-QFIPXVFZSA-N
MW348.45 g/mol
LogP4.72
Rot. Bonds5

About (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine

(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 99965262) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
PubChem CID99965262
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-25-21-10-8-19(9-11-21)23-13-12-18(16-23)22-24(14-15-26-22)20-6-4-17(2)5-7-20/h4-13,16,22H,3,14-15H2,1-2H3/t22-/m0/s1
InChIKeyPAAZGFWBKFMJFT-QFIPXVFZSA-N
XLogP4.72
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965257
(2S)-3-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965648
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965276
(2R)-3-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965435
1-(4-ethoxyphenyl)-3-(1,3-oxathiolan-2-yl)pyrrole
CID 132649688
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965219
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415
(2R)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99965464
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 132651849
(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 99965351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine (CID 99965262) is (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine is CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1.
What is the InChIKey of (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is PAAZGFWBKFMJFT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-25-21-10-8-19(9-11-21)23-13-12-18(16-23)22-24(14-15-26-22)20-6-4-17(2)5-7-20/h4-13,16,22H,3,14-15H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 348.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99965262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).