(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine

C20H19BrN2O — CID 99965276

IUPAC(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1
InChIInChI=1S/C20H19BrN2O/c1-15-6-8-17(9-7-15)23-12-13-24-20(23)16-10-11-22(14-16)19-5-3-2-4-18(19)21/h2-11,14,20H,12-13H2,1H3/t20-/m1/s1
InChIKeyMRWDLRSLBBSLGN-HXUWFJFHSA-N
MW383.29 g/mol
LogP5.08
Rot. Bonds3

About (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine

(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 99965276) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
PubChem CID99965276
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1
InChIInChI=1S/C20H19BrN2O/c1-15-6-8-17(9-7-15)23-12-13-24-20(23)16-10-11-22(14-16)19-5-3-2-4-18(19)21/h2-11,14,20H,12-13H2,1H3/t20-/m1/s1
InChIKeyMRWDLRSLBBSLGN-HXUWFJFHSA-N
XLogP5.08
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965257
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965476
(2R)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965625
(2S)-3-(4-methylphenyl)-2-[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965271
(2S)-2-[1-(4-ethoxyphenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965262
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
(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)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
3-(4-ethylphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658247
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
(2S)-3-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine (CID 99965276) is (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1.
What is the InChIKey of (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is MRWDLRSLBBSLGN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-15-6-8-17(9-7-15)23-12-13-24-20(23)16-10-11-22(14-16)19-5-3-2-4-18(19)21/h2-11,14,20H,12-13H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
(2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 383.29 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99965276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).