(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol

C14H16BrNO4 — CID 79027106

IUPAC(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
SMILESCOCc1cc(COc2ccc(Br)cc2[C@H](C)O)no1
InChIInChI=1S/C14H16BrNO4/c1-9(17)13-5-10(15)3-4-14(13)19-7-11-6-12(8-18-2)20-16-11/h3-6,9,17H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyPLLRTBYUYCEJBN-VIFPVBQESA-N
MW342.19 g/mol
LogP3.22
Rot. Bonds6

About (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol

(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol (PubChem CID 79027106) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
PubChem CID79027106
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
SMILESCOCc1cc(COc2ccc(Br)cc2[C@H](C)O)no1
InChIInChI=1S/C14H16BrNO4/c1-9(17)13-5-10(15)3-4-14(13)19-7-11-6-12(8-18-2)20-16-11/h3-6,9,17H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyPLLRTBYUYCEJBN-VIFPVBQESA-N
XLogP3.22
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol with MolForge

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Related Compounds

1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-methylphenyl]ethanol
CID 66188562
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157615
(1S)-1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 66190143
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
1-[3-methoxy-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66156818

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol (CID 79027106) is (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol is COCc1cc(COc2ccc(Br)cc2[C@H](C)O)no1.
What is the InChIKey of (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol?
The InChIKey is PLLRTBYUYCEJBN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-9(17)13-5-10(15)3-4-14(13)19-7-11-6-12(8-18-2)20-16-11/h3-6,9,17H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol has a molecular weight of 342.19 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 79027106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).