2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine

C18H17FN2O2 — CID 132650491

IUPAC2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESFc1ccc(-n2ccc(C3OCCN3Cc3ccco3)c2)cc1
InChIInChI=1S/C18H17FN2O2/c19-15-3-5-16(6-4-15)20-8-7-14(12-20)18-21(9-11-23-18)13-17-2-1-10-22-17/h1-8,10,12,18H,9,11,13H2
InChIKeyCUKPKGLTVRIXLQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.74
Rot. Bonds4

About 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine

2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 132650491) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
PubChem CID132650491
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESFc1ccc(-n2ccc(C3OCCN3Cc3ccco3)c2)cc1
InChIInChI=1S/C18H17FN2O2/c19-15-3-5-16(6-4-15)20-8-7-14(12-20)18-21(9-11-23-18)13-17-2-1-10-22-17/h1-8,10,12,18H,9,11,13H2
InChIKeyCUKPKGLTVRIXLQ-UHFFFAOYSA-N
XLogP3.74
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965935
(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965954
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132651767
(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965690
(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965807
(2R)-2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965625
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965812
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-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (CID 132650491) is 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is Fc1ccc(-n2ccc(C3OCCN3Cc3ccco3)c2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is CUKPKGLTVRIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-3-5-16(6-4-15)20-8-7-14(12-20)18-21(9-11-23-18)13-17-2-1-10-22-17/h1-8,10,12,18H,9,11,13H2.
What are the key properties of 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 312.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 132650491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).