[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol

C12H11Br2NO3 — CID 107738846

IUPAC[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
SMILESCc1cc(COc2c(Br)cc(CO)cc2Br)no1
InChIInChI=1S/C12H11Br2NO3/c1-7-2-9(15-18-7)6-17-12-10(13)3-8(5-16)4-11(12)14/h2-4,16H,5-6H2,1H3
InChIKeyOMFVAZDWDKCEBR-UHFFFAOYSA-N
MW377.03 g/mol
LogP3.58
Rot. Bonds4

About [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol

[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol (PubChem CID 107738846) has the molecular formula C12H11Br2NO3 and a molecular weight of 377.03 g/mol. Its IUPAC name is [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
PubChem CID107738846
Molecular FormulaC12H11Br2NO3
Molecular Weight377.03 g/mol
Exact Mass374.91
IUPAC Name[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
SMILESCc1cc(COc2c(Br)cc(CO)cc2Br)no1
InChIInChI=1S/C12H11Br2NO3/c1-7-2-9(15-18-7)6-17-12-10(13)3-8(5-16)4-11(12)14/h2-4,16H,5-6H2,1H3
InChIKeyOMFVAZDWDKCEBR-UHFFFAOYSA-N
XLogP3.58
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol (CID 107738846) is [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol is Cc1cc(COc2c(Br)cc(CO)cc2Br)no1.
What is the InChIKey of [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is OMFVAZDWDKCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO3/c1-7-2-9(15-18-7)6-17-12-10(13)3-8(5-16)4-11(12)14/h2-4,16H,5-6H2,1H3.
What are the key properties of [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol?
[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 377.03 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 107738846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).