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

C20H22N2O3 — CID 99965956

IUPAC(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESCCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1
InChIInChI=1S/C20H22N2O3/c1-2-23-19-8-4-3-7-18(19)21-10-9-16(14-21)20-22(11-13-25-20)15-17-6-5-12-24-17/h3-10,12,14,20H,2,11,13,15H2,1H3/t20-/m0/s1
InChIKeyPORWYRMRLXFNGF-FQEVSTJZSA-N
MW338.41 g/mol
LogP4.00
Rot. Bonds6

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

(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 99965956) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
PubChem CID99965956
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESCCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1
InChIInChI=1S/C20H22N2O3/c1-2-23-19-8-4-3-7-18(19)21-10-9-16(14-21)20-22(11-13-25-20)15-17-6-5-12-24-17/h3-10,12,14,20H,2,11,13,15H2,1H3/t20-/m0/s1
InChIKeyPORWYRMRLXFNGF-FQEVSTJZSA-N
XLogP4.00
TPSA39.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132656841
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
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99965664
(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965866
(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-(3-methylphenyl)-1,3-oxazolidine
CID 99965219
(2R)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99965464
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-(2-methoxyphenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965339
(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (CID 99965956) is (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1.
What is the InChIKey of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is PORWYRMRLXFNGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-23-19-8-4-3-7-18(19)21-10-9-16(14-21)20-22(11-13-25-20)15-17-6-5-12-24-17/h3-10,12,14,20H,2,11,13,15H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 338.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 99965956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).