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

C20H19FN2O — CID 99965690

IUPAC(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESFc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H19FN2O/c21-18-8-4-5-9-19(18)22-11-10-17(15-22)20-23(12-13-24-20)14-16-6-2-1-3-7-16/h1-11,15,20H,12-14H2/t20-/m0/s1
InChIKeyJHDAXQALWABAMI-FQEVSTJZSA-N
MW322.38 g/mol
LogP4.15
Rot. Bonds4

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

(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine (PubChem CID 99965690) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
PubChem CID99965690
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
SMILESFc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H19FN2O/c21-18-8-4-5-9-19(18)22-11-10-17(15-22)20-23(12-13-24-20)14-16-6-2-1-3-7-16/h1-11,15,20H,12-14H2/t20-/m0/s1
InChIKeyJHDAXQALWABAMI-FQEVSTJZSA-N
XLogP4.15
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650877
3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650753
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
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841
2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132651767
2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 132653276
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956
(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965807
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 132650491
(2R)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965625

Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
The IUPAC name of (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine (CID 99965690) is (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
The canonical SMILES for (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine is Fc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1.
What is the InChIKey of (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
The InChIKey is JHDAXQALWABAMI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-18-8-4-5-9-19(18)22-11-10-17(15-22)20-23(12-13-24-20)14-16-6-2-1-3-7-16/h1-11,15,20H,12-14H2/t20-/m0/s1.
What are the key properties of (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine?
(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine has a molecular weight of 322.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 99965690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).