(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine

C22H24N2O2 — CID 99965351

IUPAC(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
SMILESCCc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-17-8-10-19(11-9-17)23-13-12-18(16-23)22-24(14-15-26-22)20-6-4-5-7-21(20)25-2/h4-13,16,22H,3,14-15H2,1-2H3/t22-/m1/s1
InChIKeyLNJUAMQFXVBPGI-JOCHJYFZSA-N
MW348.45 g/mol
LogP4.58
Rot. Bonds5

About (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine

(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine (PubChem CID 99965351) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
PubChem CID99965351
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
SMILESCCc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-17-8-10-19(11-9-17)23-13-12-18(16-23)22-24(14-15-26-22)20-6-4-5-7-21(20)25-2/h4-13,16,22H,3,14-15H2,1-2H3/t22-/m1/s1
InChIKeyLNJUAMQFXVBPGI-JOCHJYFZSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 132652888
(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965339
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
(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)-3-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965648
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965476
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 132651849
(2S)-3-(4-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965538
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
CID 132661060
(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
CID 99965492

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine (CID 99965351) is (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine is CCc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1.
What is the InChIKey of (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
The InChIKey is LNJUAMQFXVBPGI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-17-8-10-19(11-9-17)23-13-12-18(16-23)22-24(14-15-26-22)20-6-4-5-7-21(20)25-2/h4-13,16,22H,3,14-15H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine has a molecular weight of 348.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).