2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine

C21H21ClN2O — CID 132653276

IUPAC2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1ccc(CN2CCOC2c2ccn(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H21ClN2O/c1-16-5-7-17(8-6-16)14-24-11-12-25-21(24)18-9-10-23(15-18)20-4-2-3-19(22)13-20/h2-10,13,15,21H,11-12,14H2,1H3
InChIKeyOCTLCTLECZDAGE-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.97
Rot. Bonds4

About 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine

2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine (PubChem CID 132653276) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
PubChem CID132653276
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1ccc(CN2CCOC2c2ccn(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H21ClN2O/c1-16-5-7-17(8-6-16)14-24-11-12-25-21(24)18-9-10-23(15-18)20-4-2-3-19(22)13-20/h2-10,13,15,21H,11-12,14H2,1H3
InChIKeyOCTLCTLECZDAGE-UHFFFAOYSA-N
XLogP4.97
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650753
(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965954
(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
(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965866
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966623
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 99966709
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132655336
2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine?
The IUPAC name of 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine (CID 132653276) is 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine is Cc1ccc(CN2CCOC2c2ccn(-c3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine?
The InChIKey is OCTLCTLECZDAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-16-5-7-17(8-6-16)14-24-11-12-25-21(24)18-9-10-23(15-18)20-4-2-3-19(22)13-20/h2-10,13,15,21H,11-12,14H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine?
2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine has a molecular weight of 352.87 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 132653276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).