(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine

C21H22N2O2 — CID 99965476

IUPAC(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCOc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1
InChIInChI=1S/C21H22N2O2/c1-16-5-3-4-6-20(16)22-12-11-17(15-22)21-23(13-14-25-21)18-7-9-19(24-2)10-8-18/h3-12,15,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyXJVFIVKZGHGYBT-NRFANRHFSA-N
MW334.42 g/mol
LogP4.33
Rot. Bonds4

About (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine

(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine (PubChem CID 99965476) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
PubChem CID99965476
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCOc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1
InChIInChI=1S/C21H22N2O2/c1-16-5-3-4-6-20(16)22-12-11-17(15-22)21-23(13-14-25-21)18-7-9-19(24-2)10-8-18/h3-12,15,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyXJVFIVKZGHGYBT-NRFANRHFSA-N
XLogP4.33
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965538
(2S)-3-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965648
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
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2R)-3-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965435
(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965276
(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965339
(2R)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965416
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415
3-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658690
(2R)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99965464

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The IUPAC name of (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine (CID 99965476) is (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The canonical SMILES for (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine is COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1.
What is the InChIKey of (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The InChIKey is XJVFIVKZGHGYBT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-5-3-4-6-20(16)22-12-11-17(15-22)21-23(13-14-25-21)18-7-9-19(24-2)10-8-18/h3-12,15,21H,13-14H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine has a molecular weight of 334.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 99965476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).