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

C21H21FN2O — CID 99965575

IUPAC(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C21H21FN2O/c1-2-16-7-9-18(10-8-16)24-13-14-25-21(24)17-11-12-23(15-17)20-6-4-3-5-19(20)22/h3-12,15,21H,2,13-14H2,1H3/t21-/m1/s1
InChIKeyVZLSJQIITGEDQJ-OAQYLSRUSA-N
MW336.41 g/mol
LogP4.71
Rot. Bonds4

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

(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine (PubChem CID 99965575) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
PubChem CID99965575
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C21H21FN2O/c1-2-16-7-9-18(10-8-16)24-13-14-25-21(24)17-11-12-23(15-17)20-6-4-3-5-19(20)22/h3-12,15,21H,2,13-14H2,1H3/t21-/m1/s1
InChIKeyVZLSJQIITGEDQJ-OAQYLSRUSA-N
XLogP4.71
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-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-ethylphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658247
(2R)-2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyphenyl)-1,3-oxazolidine
CID 99965351
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2R)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965625
3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650877
(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965276
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99965208
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)-3-(4-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965538

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
The IUPAC name of (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine (CID 99965575) is (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine.
What is the SMILES notation for (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
The canonical SMILES for (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine is CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1.
What is the InChIKey of (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
The InChIKey is VZLSJQIITGEDQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-2-16-7-9-18(10-8-16)24-13-14-25-21(24)17-11-12-23(15-17)20-6-4-3-5-19(20)22/h3-12,15,21H,2,13-14H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine has a molecular weight of 336.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 99965575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).