(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine

C19H17FN2O — CID 99965617

IUPAC(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
SMILESFc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H17FN2O/c20-16-6-8-18(9-7-16)22-12-13-23-19(22)15-10-11-21(14-15)17-4-2-1-3-5-17/h1-11,14,19H,12-13H2/t19-/m1/s1
InChIKeyJCCBSQGEBRCUFZ-LJQANCHMSA-N
MW308.36 g/mol
LogP4.15
Rot. Bonds3

About (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine

(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine (PubChem CID 99965617) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
PubChem CID99965617
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
SMILESFc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H17FN2O/c20-16-6-8-18(9-7-16)22-12-13-23-19(22)15-10-11-21(14-15)17-4-2-1-3-5-17/h1-11,14,19H,12-13H2/t19-/m1/s1
InChIKeyJCCBSQGEBRCUFZ-LJQANCHMSA-N
XLogP4.15
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965648
(2R)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965625
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 132651849
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
3-phenyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132653976
(2S)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965257
(2S)-3-(4-methylphenyl)-2-[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965271
(2R)-3-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965435
(2R)-3-(4-ethylphenyl)-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965575
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 132650491
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine (CID 99965617) is (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine is Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine?
The InChIKey is JCCBSQGEBRCUFZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-16-6-8-18(9-7-16)22-12-13-23-19(22)15-10-11-21(14-15)17-4-2-1-3-5-17/h1-11,14,19H,12-13H2/t19-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine?
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine has a molecular weight of 308.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine is sourced from PubChem (CID 99965617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).