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

C18H17FN2O2 — CID 99965954

IUPAC(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESFc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1
InChIInChI=1S/C18H17FN2O2/c19-15-3-1-4-16(11-15)20-7-6-14(12-20)18-21(8-10-23-18)13-17-5-2-9-22-17/h1-7,9,11-12,18H,8,10,13H2/t18-/m0/s1
InChIKeyZTMZDMAYJSFEJQ-SFHVURJKSA-N
MW312.34 g/mol
LogP3.74
Rot. Bonds4

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

(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 99965954) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
PubChem CID99965954
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESFc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1
InChIInChI=1S/C18H17FN2O2/c19-15-3-1-4-16(11-15)20-7-6-14(12-20)18-21(8-10-23-18)13-17-5-2-9-22-17/h1-7,9,11-12,18H,8,10,13H2/t18-/m0/s1
InChIKeyZTMZDMAYJSFEJQ-SFHVURJKSA-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

2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 132650491
(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965935
2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132651767
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956
2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 132653276
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
(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)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 132651849
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415
(2R)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (CID 99965954) is (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is Fc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1.
What is the InChIKey of (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is ZTMZDMAYJSFEJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-3-1-4-16(11-15)20-7-6-14(12-20)18-21(8-10-23-18)13-17-5-2-9-22-17/h1-7,9,11-12,18H,8,10,13H2/t18-/m0/s1.
What are the key properties of (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
(2S)-2-[1-(3-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 (2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 99965954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).