4,5-dihydro-1,4-oxazepine

C5H7NO — CID 19370107

IUPAC4,5-dihydro-1,4-oxazepine
SMILESC1=COC=CNC1
InChIInChI=1S/C5H7NO/c1-2-6-3-5-7-4-1/h1,3-6H,2H2
InChIKeyFVNLUSRWSDHIHP-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.59
Rot. Bonds

About 4,5-dihydro-1,4-oxazepine

4,5-dihydro-1,4-oxazepine (PubChem CID 19370107) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4,5-dihydro-1,4-oxazepine.

Molecular Properties

Compound Name4,5-dihydro-1,4-oxazepine
PubChem CID19370107
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4,5-dihydro-1,4-oxazepine
SMILESC1=COC=CNC1
InChIInChI=1S/C5H7NO/c1-2-6-3-5-7-4-1/h1,3-6H,2H2
InChIKeyFVNLUSRWSDHIHP-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydro-1,3-oxazine
CID 19939796
4,7-Dihydro-1,4-oxazepine
CID 23574547
2,3-Dihydro-1,3-oxazepine
CID 58550601
2-Methylidene-3,4-dihydro-1,3-oxazine
CID 59114531
3-methoxy-N-methylprop-2-en-1-amine
CID 88578918
Ethane;2-methylidene-3,4-dihydro-1,3-oxazine
CID 91326666
(E)-3-methoxy-N-methylprop-2-en-1-amine
CID 124149109
(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine
CID 145491559
(Z)-N-ethyl-1-[(Z)-prop-1-enoxy]ethene-1,2-diamine
CID 155049143
methane;3-methoxy-N-methylprop-2-en-1-amine
CID 161190131
4,5-Dihydro-1,4-oxazepin-2-ol
CID 174834460
2-Deuterio-4,7-dihydro-1,4-oxazepine
CID 175703358

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,4-oxazepine?
The IUPAC name of 4,5-dihydro-1,4-oxazepine (CID 19370107) is 4,5-dihydro-1,4-oxazepine.
What is the SMILES notation for 4,5-dihydro-1,4-oxazepine?
The canonical SMILES for 4,5-dihydro-1,4-oxazepine is C1=COC=CNC1.
What is the InChIKey of 4,5-dihydro-1,4-oxazepine?
The InChIKey is FVNLUSRWSDHIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-6-3-5-7-4-1/h1,3-6H,2H2.
What are the key properties of 4,5-dihydro-1,4-oxazepine?
4,5-dihydro-1,4-oxazepine has a molecular weight of 97.12 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,4-oxazepine is sourced from PubChem (CID 19370107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).