2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine

C11H6Br2N2OS — CID 114021263

IUPAC2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3cc(Br)sc3Br)nc2c1
InChIInChI=1S/C11H6Br2N2OS/c12-9-4-6(10(13)17-9)11-15-7-3-5(14)1-2-8(7)16-11/h1-4H,14H2
InChIKeyBAVNFLUVLOOGRX-UHFFFAOYSA-N
MW374.06 g/mol
LogP4.66
Rot. Bonds1

About 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine

2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine (PubChem CID 114021263) has the molecular formula C11H6Br2N2OS and a molecular weight of 374.06 g/mol. Its IUPAC name is 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine
PubChem CID114021263
Molecular FormulaC11H6Br2N2OS
Molecular Weight374.06 g/mol
Exact Mass371.86
IUPAC Name2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3cc(Br)sc3Br)nc2c1
InChIInChI=1S/C11H6Br2N2OS/c12-9-4-6(10(13)17-9)11-15-7-3-5(14)1-2-8(7)16-11/h1-4H,14H2
InChIKeyBAVNFLUVLOOGRX-UHFFFAOYSA-N
XLogP4.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.06
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromothiophen-2-yl)-1,3-benzoxazol-5-amine
CID 63797921
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 55154764
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
3-bromo-4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 95910793
2-[3-(aminomethyl)-4-bromophenyl]-1,3-benzoxazol-5-amine
CID 150669523
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399
2-[3-bromo-4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine
CID 91684318
2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazole-4-carboxylic acid
CID 114021961
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine (CID 114021263) is 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3cc(Br)sc3Br)nc2c1.
What is the InChIKey of 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine?
The InChIKey is BAVNFLUVLOOGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2OS/c12-9-4-6(10(13)17-9)11-15-7-3-5(14)1-2-8(7)16-11/h1-4H,14H2.
What are the key properties of 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine?
2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine has a molecular weight of 374.06 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 114021263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).