benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

C16H16Br2N2O — CID 145171962

IUPACbenzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESBrc1ccc(NC2=NCCOC2)c(Br)c1.c1ccccc1
InChIInChI=1S/C10H10Br2N2O.C6H6/c11-7-1-2-9(8(12)5-7)14-10-6-15-4-3-13-10;1-2-4-6-5-3-1/h1-2,5H,3-4,6H2,(H,13,14);1-6H
InChIKeyIODSNONTWSWNOY-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.74
Rot. Bonds1

About benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 145171962) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Namebenzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID145171962
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Namebenzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESBrc1ccc(NC2=NCCOC2)c(Br)c1.c1ccccc1
InChIInChI=1S/C10H10Br2N2O.C6H6/c11-7-1-2-9(8(12)5-7)14-10-6-15-4-3-13-10;1-2-4-6-5-3-1/h1-2,5H,3-4,6H2,(H,13,14);1-6H
InChIKeyIODSNONTWSWNOY-UHFFFAOYSA-N
XLogP4.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 145171962) is benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is Brc1ccc(NC2=NCCOC2)c(Br)c1.c1ccccc1.
What is the InChIKey of benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is IODSNONTWSWNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O.C6H6/c11-7-1-2-9(8(12)5-7)14-10-6-15-4-3-13-10;1-2-4-6-5-3-1/h1-2,5H,3-4,6H2,(H,13,14);1-6H.
What are the key properties of benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 412.13 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(2,4-dibromophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 145171962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).