3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane

C8H16ClN2O3P — CID 134893452

IUPAC3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane
SMILESO=P(Cl)(N1CCOCC1)N1CCCOC1
InChIInChI=1S/C8H16ClN2O3P/c9-15(12,10-3-6-13-7-4-10)11-2-1-5-14-8-11/h1-8H2
InChIKeySWBSIPAXPFIIBW-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.35
Rot. Bonds2

About 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane

3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane (PubChem CID 134893452) has the molecular formula C8H16ClN2O3P and a molecular weight of 254.65 g/mol. Its IUPAC name is 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane.

Molecular Properties

Compound Name3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane
PubChem CID134893452
Molecular FormulaC8H16ClN2O3P
Molecular Weight254.65 g/mol
Exact Mass254.06
IUPAC Name3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane
SMILESO=P(Cl)(N1CCOCC1)N1CCCOC1
InChIInChI=1S/C8H16ClN2O3P/c9-15(12,10-3-6-13-7-4-10)11-2-1-5-14-8-11/h1-8H2
InChIKeySWBSIPAXPFIIBW-UHFFFAOYSA-N
XLogP1.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
CID 13381598
dimorpholin-4-ylphosphinic acid
CID 4193589
4-[amino(chloro)phosphoryl]oxymorpholine
CID 126510145
4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
CID 58981463
1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine
CID 143387206
N-(3-chloropropanoyl)-1,4-oxazepane-4-carboxamide
CID 62966590
4-iodo-1,4-oxazepane
CID 89294846
morpholin-4-yl dihydrogen phosphate
CID 57078331
2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
CID 2783560
(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
CID 15685821
(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
CID 5417930

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane?
The IUPAC name of 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane (CID 134893452) is 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane.
What is the SMILES notation for 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane?
The canonical SMILES for 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane is O=P(Cl)(N1CCOCC1)N1CCCOC1.
What is the InChIKey of 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane?
The InChIKey is SWBSIPAXPFIIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN2O3P/c9-15(12,10-3-6-13-7-4-10)11-2-1-5-14-8-11/h1-8H2.
What are the key properties of 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane?
3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane has a molecular weight of 254.65 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane is sourced from PubChem (CID 134893452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).