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

C10H7BrClNO2 — CID 79146085

IUPAC[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1-c1cc(Br)ccc1Cl
InChIInChI=1S/C10H7BrClNO2/c11-6-1-2-8(12)7(3-6)10-9(4-14)13-5-15-10/h1-3,5,14H,4H2
InChIKeyVVIPMVUNNPRZTB-UHFFFAOYSA-N
MW288.53 g/mol
LogP3.25
Rot. Bonds2

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

[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 79146085) has the molecular formula C10H7BrClNO2 and a molecular weight of 288.53 g/mol. Its IUPAC name is [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol
PubChem CID79146085
Molecular FormulaC10H7BrClNO2
Molecular Weight288.53 g/mol
Exact Mass286.93
IUPAC Name[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1-c1cc(Br)ccc1Cl
InChIInChI=1S/C10H7BrClNO2/c11-6-1-2-8(12)7(3-6)10-9(4-14)13-5-15-10/h1-3,5,14H,4H2
InChIKeyVVIPMVUNNPRZTB-UHFFFAOYSA-N
XLogP3.25
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol (CID 79146085) is [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol is OCc1ncoc1-c1cc(Br)ccc1Cl.
What is the InChIKey of [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is VVIPMVUNNPRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2/c11-6-1-2-8(12)7(3-6)10-9(4-14)13-5-15-10/h1-3,5,14H,4H2.
What are the key properties of [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol?
[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 288.53 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79146085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).