(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine

C13H18BrNO3 — CID 99832541

IUPAC(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
SMILESBrc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)o1
InChIInChI=1S/C13H18BrNO3/c14-13-4-3-10(18-13)8-15-5-7-17-12(9-15)11-2-1-6-16-11/h3-4,11-12H,1-2,5-9H2/t11-,12-/m0/s1
InChIKeyOBUSVIRSOKLVLS-RYUDHWBXSA-N
MW316.19 g/mol
LogP2.42
Rot. Bonds3

About (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine

(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine (PubChem CID 99832541) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
PubChem CID99832541
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
SMILESBrc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)o1
InChIInChI=1S/C13H18BrNO3/c14-13-4-3-10(18-13)8-15-5-7-17-12(9-15)11-2-1-6-16-11/h3-4,11-12H,1-2,5-9H2/t11-,12-/m0/s1
InChIKeyOBUSVIRSOKLVLS-RYUDHWBXSA-N
XLogP2.42
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxolan-2-yl)morpholine
CID 84594245
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine
CID 100615019
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
4-[(5-bromofuran-2-yl)methyl]-6-methyl-1,4-oxazepane
CID 131213802
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
(2R)-4-[(2-morpholin-4-ylphenyl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147456
(2R)-4-[(2-chloro-5-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124830182
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
The IUPAC name of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine (CID 99832541) is (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine.
What is the SMILES notation for (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
The canonical SMILES for (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine is Brc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)o1.
What is the InChIKey of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
The InChIKey is OBUSVIRSOKLVLS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18BrNO3/c14-13-4-3-10(18-13)8-15-5-7-17-12(9-15)11-2-1-6-16-11/h3-4,11-12H,1-2,5-9H2/t11-,12-/m0/s1.
What are the key properties of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine has a molecular weight of 316.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine is sourced from PubChem (CID 99832541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).