N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine

C10H12N2O — CID 34883094

IUPACN-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESc1ccc(NC2=NCCOC2)cc1
InChIInChI=1S/C10H12N2O/c1-2-4-9(5-3-1)12-10-8-13-7-6-11-10/h1-5H,6-8H2,(H,11,12)
InChIKeyHIWOBQGNLWOYBB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.53
Rot. Bonds1

About N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine

N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 34883094) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound NameN-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID34883094
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESc1ccc(NC2=NCCOC2)cc1
InChIInChI=1S/C10H12N2O/c1-2-4-9(5-3-1)12-10-8-13-7-6-11-10/h1-5H,6-8H2,(H,11,12)
InChIKeyHIWOBQGNLWOYBB-UHFFFAOYSA-N
XLogP1.53
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 34883094) is N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine is c1ccc(NC2=NCCOC2)cc1.
What is the InChIKey of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is HIWOBQGNLWOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)12-10-8-13-7-6-11-10/h1-5H,6-8H2,(H,11,12).
What are the key properties of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 176.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 34883094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).