4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol

C13H8Br2N2O2 — CID 135958578

IUPAC4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
SMILESNc1c(Br)cc2oc(-c3ccc(O)cc3)nc2c1Br
InChIInChI=1S/C13H8Br2N2O2/c14-8-5-9-12(10(15)11(8)16)17-13(19-9)6-1-3-7(18)4-2-6/h1-5,18H,16H2
InChIKeyONBWSPASKFNRTQ-UHFFFAOYSA-N
MW384.03 g/mol
LogP4.31
Rot. Bonds1

About 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol

4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol (PubChem CID 135958578) has the molecular formula C13H8Br2N2O2 and a molecular weight of 384.03 g/mol. Its IUPAC name is 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
PubChem CID135958578
Molecular FormulaC13H8Br2N2O2
Molecular Weight384.03 g/mol
Exact Mass381.90
IUPAC Name4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
SMILESNc1c(Br)cc2oc(-c3ccc(O)cc3)nc2c1Br
InChIInChI=1S/C13H8Br2N2O2/c14-8-5-9-12(10(15)11(8)16)17-13(19-9)6-1-3-7(18)4-2-6/h1-5,18H,16H2
InChIKeyONBWSPASKFNRTQ-UHFFFAOYSA-N
XLogP4.31
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.03
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-Bromophenyl)-5-benzoxazolamine
CID 721066
2-(3-Bromophenyl)-1,3-benzoxazol-5-amine
CID 721069
2-(4-Bromophenyl)-1,3-benzoxazol-5-amine
CID 721071
2-(3-Bromo-4-methoxyphenyl)-5-benzoxazolamine
CID 721087
4-(1,3-Benzoxazol-2-yl)-2,6-dibromophenol
CID 135566326
4,6-Dibromo-2-phenyl-1,3-benzoxazol-5-amine
CID 661662
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide
CID 738874
4,6-Dibromo-2-(4-methoxyphenyl)-1,3-benzoxazol-5-amine
CID 661675
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 644527
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 667358
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 4262196
2-(4-Ethoxyphenyl)-1,3-benzoxazol-5-amine
CID 762774

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol (CID 135958578) is 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol is Nc1c(Br)cc2oc(-c3ccc(O)cc3)nc2c1Br.
What is the InChIKey of 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol?
The InChIKey is ONBWSPASKFNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O2/c14-8-5-9-12(10(15)11(8)16)17-13(19-9)6-1-3-7(18)4-2-6/h1-5,18H,16H2.
What are the key properties of 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol?
4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol has a molecular weight of 384.03 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 135958578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).