3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine

C21H22N2O — CID 132650753

IUPAC3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCc1ccccc1-n1ccc(C2OCCN2Cc2ccccc2)c1
InChIInChI=1S/C21H22N2O/c1-17-7-5-6-10-20(17)22-12-11-19(16-22)21-23(13-14-24-21)15-18-8-3-2-4-9-18/h2-12,16,21H,13-15H2,1H3
InChIKeyOOTVYRDUKYTFRJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.32
Rot. Bonds4

About 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine

3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine (PubChem CID 132650753) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
PubChem CID132650753
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESCc1ccccc1-n1ccc(C2OCCN2Cc2ccccc2)c1
InChIInChI=1S/C21H22N2O/c1-17-7-5-6-10-20(17)22-12-11-19(16-22)21-23(13-14-24-21)15-18-8-3-2-4-9-18/h2-12,16,21H,13-15H2,1H3
InChIKeyOOTVYRDUKYTFRJ-UHFFFAOYSA-N
XLogP4.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965690
3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650877
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132655325
(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965866
2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841
2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 132653276
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965476
(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965807
2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132651767
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965812
(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964262
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The IUPAC name of 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine (CID 132650753) is 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine.
What is the SMILES notation for 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The canonical SMILES for 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine is Cc1ccccc1-n1ccc(C2OCCN2Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
The InChIKey is OOTVYRDUKYTFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-17-7-5-6-10-20(17)22-12-11-19(16-22)21-23(13-14-24-21)15-18-8-3-2-4-9-18/h2-12,16,21H,13-15H2,1H3.
What are the key properties of 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine?
3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine has a molecular weight of 318.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 132650753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).