oxazepin-4-amine

C5H6N2O — CID 68718348

IUPACoxazepin-4-amine
SMILESNC1=CC=CON=C1
InChIInChI=1S/C5H6N2O/c6-5-2-1-3-8-7-4-5/h1-4H,6H2
InChIKeySNOHSGHRUBCENI-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.36
Rot. Bonds

About oxazepin-4-amine

oxazepin-4-amine (PubChem CID 68718348) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is oxazepin-4-amine.

Molecular Properties

Compound Nameoxazepin-4-amine
PubChem CID68718348
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Nameoxazepin-4-amine
SMILESNC1=CC=CON=C1
InChIInChI=1S/C5H6N2O/c6-5-2-1-3-8-7-4-5/h1-4H,6H2
InChIKeySNOHSGHRUBCENI-UHFFFAOYSA-N
XLogP0.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxazepin-4-amine?
The IUPAC name of oxazepin-4-amine (CID 68718348) is oxazepin-4-amine.
What is the SMILES notation for oxazepin-4-amine?
The canonical SMILES for oxazepin-4-amine is NC1=CC=CON=C1.
What is the InChIKey of oxazepin-4-amine?
The InChIKey is SNOHSGHRUBCENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-5-2-1-3-8-7-4-5/h1-4H,6H2.
What are the key properties of oxazepin-4-amine?
oxazepin-4-amine has a molecular weight of 110.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxazepin-4-amine is sourced from PubChem (CID 68718348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).