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

C22H24N2O — CID 99965208

IUPAC(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
SMILESCCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1
InChIInChI=1S/C22H24N2O/c1-3-18-8-4-5-10-21(18)23-12-11-19(16-23)22-24(13-14-25-22)20-9-6-7-17(2)15-20/h4-12,15-16,22H,3,13-14H2,1-2H3/t22-/m1/s1
InChIKeyJEMJIOSLHHZIMP-JOCHJYFZSA-N
MW332.45 g/mol
LogP4.88
Rot. Bonds4

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

(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine (PubChem CID 99965208) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
PubChem CID99965208
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
SMILESCCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1
InChIInChI=1S/C22H24N2O/c1-3-18-8-4-5-10-21(18)23-12-11-19(16-23)22-24(13-14-25-22)20-9-6-7-17(2)15-20/h4-12,15-16,22H,3,13-14H2,1-2H3/t22-/m1/s1
InChIKeyJEMJIOSLHHZIMP-JOCHJYFZSA-N
XLogP4.88
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965219
2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 132652888
(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965276
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415
(2R)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965416
3-(4-ethylphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658247
3-phenyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132653976
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965476
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965339
(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 (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine (CID 99965208) is (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine is CCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1.
What is the InChIKey of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
The InChIKey is JEMJIOSLHHZIMP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-18-8-4-5-10-21(18)23-12-11-19(16-23)22-24(13-14-25-22)20-9-6-7-17(2)15-20/h4-12,15-16,22H,3,13-14H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine has a molecular weight of 332.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99965208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).