6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one

C14H11BrN2O2 — CID 43322363

IUPAC6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESNC(c1ccc2[nH]c(=O)oc2c1)c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c15-10-4-2-1-3-9(10)13(16)8-5-6-11-12(7-8)19-14(18)17-11/h1-7,13H,16H2,(H,17,18)
InChIKeyHZCLQXGGTFLTFA-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.93
Rot. Bonds2

About 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one

6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43322363) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43322363
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESNC(c1ccc2[nH]c(=O)oc2c1)c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c15-10-4-2-1-3-9(10)13(16)8-5-6-11-12(7-8)19-14(18)17-11/h1-7,13H,16H2,(H,17,18)
InChIKeyHZCLQXGGTFLTFA-UHFFFAOYSA-N
XLogP2.93
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[amino-(5-bromo-2-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43322329
6-[amino-(4-bromo-2-methoxyphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 115368865
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-[amino-(3-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140007
6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 65151595
6-[amino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114819848
6-[amino-(4,5-dimethylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 65237791
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one
CID 82499590
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 106855347

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one (CID 43322363) is 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one is NC(c1ccc2[nH]c(=O)oc2c1)c1ccccc1Br.
What is the InChIKey of 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is HZCLQXGGTFLTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-10-4-2-1-3-9(10)13(16)8-5-6-11-12(7-8)19-14(18)17-11/h1-7,13H,16H2,(H,17,18).
What are the key properties of 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one?
6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 319.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43322363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).