[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol

C12H8BrNO3 — CID 82357873

IUPAC[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc(Br)o3)nc2c1
InChIInChI=1S/C12H8BrNO3/c13-11-4-3-10(16-11)12-14-8-5-7(6-15)1-2-9(8)17-12/h1-5,15H,6H2
InChIKeyFQPKPOFCGWVXRE-UHFFFAOYSA-N
MW294.10 g/mol
LogP3.34
Rot. Bonds2

About [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol

[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 82357873) has the molecular formula C12H8BrNO3 and a molecular weight of 294.10 g/mol. Its IUPAC name is [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
PubChem CID82357873
Molecular FormulaC12H8BrNO3
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc(Br)o3)nc2c1
InChIInChI=1S/C12H8BrNO3/c13-11-4-3-10(16-11)12-14-8-5-7(6-15)1-2-9(8)17-12/h1-5,15H,6H2
InChIKeyFQPKPOFCGWVXRE-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

[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
CID 91681454
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
CID 137133301
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357843
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol (CID 82357873) is [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(-c3ccc(Br)o3)nc2c1.
What is the InChIKey of [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is FQPKPOFCGWVXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3/c13-11-4-3-10(16-11)12-14-8-5-7(6-15)1-2-9(8)17-12/h1-5,15H,6H2.
What are the key properties of [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol?
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-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 [2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 82357873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).