[3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C11H12BrNO3 — CID 58653822

IUPAC[3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCOc1cc(Br)ccc1C1=NOC(CO)C1
InChIInChI=1S/C11H12BrNO3/c1-15-11-4-7(12)2-3-9(11)10-5-8(6-14)16-13-10/h2-4,8,14H,5-6H2,1H3
InChIKeyUMFGKKQCBSIDIN-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.94
Rot. Bonds3

About [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 58653822) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID58653822
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name[3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCOc1cc(Br)ccc1C1=NOC(CO)C1
InChIInChI=1S/C11H12BrNO3/c1-15-11-4-7(12)2-3-9(11)10-5-8(6-14)16-13-10/h2-4,8,14H,5-6H2,1H3
InChIKeyUMFGKKQCBSIDIN-UHFFFAOYSA-N
XLogP1.94
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 58653822) is [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is COc1cc(Br)ccc1C1=NOC(CO)C1.
What is the InChIKey of [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is UMFGKKQCBSIDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-15-11-4-7(12)2-3-9(11)10-5-8(6-14)16-13-10/h2-4,8,14H,5-6H2,1H3.
What are the key properties of [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 286.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 58653822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).