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

C18H17BrN2O2 — CID 99965935

IUPAC(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESBrc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1
InChIInChI=1S/C18H17BrN2O2/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/t18-/m1/s1
InChIKeyLAGIEEBZVUUHAG-GOSISDBHSA-N
MW373.25 g/mol
LogP4.36
Rot. Bonds4

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

(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 99965935) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
PubChem CID99965935
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESBrc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1
InChIInChI=1S/C18H17BrN2O2/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/t18-/m1/s1
InChIKeyLAGIEEBZVUUHAG-GOSISDBHSA-N
XLogP4.36
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.36
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
(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965954
(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965807
(2S)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965956
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 132652576
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99966743
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 132655325
(4aR,7S,7aR)-4-(furan-2-ylmethyl)-7-(pyrrol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124520246
1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 6466955
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (CID 99965935) is (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is Brc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1.
What is the InChIKey of (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is LAGIEEBZVUUHAG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17BrN2O2/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/t18-/m1/s1.
What are the key properties of (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 373.25 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 99965935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).