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

C12H8BrNO3 — CID 149252139

IUPAC[5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol
SMILESOCc1oc2ccc(Br)cc2c1-c1cocn1
InChIInChI=1S/C12H8BrNO3/c13-7-1-2-10-8(3-7)12(11(4-15)17-10)9-5-16-6-14-9/h1-3,5-6,15H,4H2
InChIKeyDDAJQNUWLMUBMI-UHFFFAOYSA-N
MW294.10 g/mol
LogP3.34
Rot. Bonds2

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

[5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol (PubChem CID 149252139) has the molecular formula C12H8BrNO3 and a molecular weight of 294.10 g/mol. Its IUPAC name is [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol
PubChem CID149252139
Molecular FormulaC12H8BrNO3
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name[5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol
SMILESOCc1oc2ccc(Br)cc2c1-c1cocn1
InChIInChI=1S/C12H8BrNO3/c13-7-1-2-10-8(3-7)12(11(4-15)17-10)9-5-16-6-14-9/h1-3,5-6,15H,4H2
InChIKeyDDAJQNUWLMUBMI-UHFFFAOYSA-N
XLogP3.34
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol
CID 132502540
1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 83904250
1-(5-bromo-3-methyl-1-benzofuran-2-yl)-3-chloropropan-2-one
CID 82264333
1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one
CID 82264330
4-(5-bromo-3-phenyl-1-benzofuran-2-yl)butan-2-one
CID 16762244
N-[(8-bromodibenzofuran-2-yl)methyl]methanimine
CID 176994459
8-bromodibenzofuran-4-ol
CID 163774283
4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
CID 799488
(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
CID 21489269
(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957
2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid
CID 91064365

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol?
The IUPAC name of [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol (CID 149252139) is [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol?
The canonical SMILES for [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol is OCc1oc2ccc(Br)cc2c1-c1cocn1.
What is the InChIKey of [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol?
The InChIKey is DDAJQNUWLMUBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3/c13-7-1-2-10-8(3-7)12(11(4-15)17-10)9-5-16-6-14-9/h1-3,5-6,15H,4H2.
What are the key properties of [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol?
[5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol has a molecular weight of 294.10 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 149252139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).