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

C22H24N2O2 — CID 132652888

IUPAC2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
SMILESCCc1ccccc1-n1ccc(C2OCCN2c2ccccc2OC)c1
InChIInChI=1S/C22H24N2O2/c1-3-17-8-4-5-9-19(17)23-13-12-18(16-23)22-24(14-15-26-22)20-10-6-7-11-21(20)25-2/h4-13,16,22H,3,14-15H2,1-2H3
InChIKeyHQDKJCWNTCGPPX-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.58
Rot. Bonds5

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

2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine (PubChem CID 132652888) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
PubChem CID132652888
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
SMILESCCc1ccccc1-n1ccc(C2OCCN2c2ccccc2OC)c1
InChIInChI=1S/C22H24N2O2/c1-3-17-8-4-5-9-19(17)23-13-12-18(16-23)22-24(14-15-26-22)20-10-6-7-11-21(20)25-2/h4-13,16,22H,3,14-15H2,1-2H3
InChIKeyHQDKJCWNTCGPPX-UHFFFAOYSA-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

(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
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965208
(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)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965866
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965219
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
3-(4-ethylphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658247
(2S)-3-(4-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965538
3-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658690

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
The IUPAC name of 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine (CID 132652888) is 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine is CCc1ccccc1-n1ccc(C2OCCN2c2ccccc2OC)c1.
What is the InChIKey of 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
The InChIKey is HQDKJCWNTCGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-17-8-4-5-9-19(17)23-13-12-18(16-23)22-24(14-15-26-22)20-10-6-7-11-21(20)25-2/h4-13,16,22H,3,14-15H2,1-2H3.
What are the key properties of 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine?
2-[1-(2-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 2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 132652888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).