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

C21H21FN2O2 — CID 99965664

IUPAC(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
SMILESCCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1
InChIInChI=1S/C21H21FN2O2/c1-2-25-20-6-4-3-5-19(20)23-12-11-16(15-23)21-24(13-14-26-21)18-9-7-17(22)8-10-18/h3-12,15,21H,2,13-14H2,1H3/t21-/m0/s1
InChIKeyZMSAKKFJORNVSX-NRFANRHFSA-N
MW352.41 g/mol
LogP4.55
Rot. Bonds5

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

(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine (PubChem CID 99965664) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
PubChem CID99965664
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
SMILESCCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1
InChIInChI=1S/C21H21FN2O2/c1-2-25-20-6-4-3-5-19(20)23-12-11-16(15-23)21-24(13-14-26-21)18-9-7-17(22)8-10-18/h3-12,15,21H,2,13-14H2,1H3/t21-/m0/s1
InChIKeyZMSAKKFJORNVSX-NRFANRHFSA-N
XLogP4.55
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965219
(2R)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99965464
(2R)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965625
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
(2S)-3-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965648
(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965262
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956
2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841
2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 132652888
(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-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
The IUPAC name of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine (CID 99965664) is (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
The canonical SMILES for (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine is CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
The InChIKey is ZMSAKKFJORNVSX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-2-25-20-6-4-3-5-19(20)23-12-11-16(15-23)21-24(13-14-26-21)18-9-7-17(22)8-10-18/h3-12,15,21H,2,13-14H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine has a molecular weight of 352.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine is sourced from PubChem (CID 99965664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).