4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine

C9H10N2O — CID 175749846

IUPAC4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
SMILESc1ccc(C2=NCOCN2)cc1
InChIInChI=1S/C9H10N2O/c1-2-4-8(5-3-1)9-10-6-12-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKeyMZRVDVNKMDHMEY-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.97
Rot. Bonds1

About 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine

4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine (PubChem CID 175749846) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine.

Molecular Properties

Compound Name4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
PubChem CID175749846
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine
SMILESc1ccc(C2=NCOCN2)cc1
InChIInChI=1S/C9H10N2O/c1-2-4-8(5-3-1)9-10-6-12-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKeyMZRVDVNKMDHMEY-UHFFFAOYSA-N
XLogP0.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
The IUPAC name of 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine (CID 175749846) is 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine.
What is the SMILES notation for 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
The canonical SMILES for 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine is c1ccc(C2=NCOCN2)cc1.
What is the InChIKey of 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
The InChIKey is MZRVDVNKMDHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-4-8(5-3-1)9-10-6-12-7-11-9/h1-5H,6-7H2,(H,10,11).
What are the key properties of 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine?
4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine has a molecular weight of 162.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,6-dihydro-2H-1,3,5-oxadiazine is sourced from PubChem (CID 175749846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).