5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine

C19H22N2O — CID 86248628

IUPAC5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESCCCCN1CC(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-3-14-21-15-18(16-10-6-4-7-11-16)20-22-19(21)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3
InChIKeyFFMLELUPDDTUKQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.22
Rot. Bonds5

About 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine

5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine (PubChem CID 86248628) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine.

Molecular Properties

Compound Name5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
PubChem CID86248628
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESCCCCN1CC(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-3-14-21-15-18(16-10-6-4-7-11-16)20-22-19(21)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3
InChIKeyFFMLELUPDDTUKQ-UHFFFAOYSA-N
XLogP4.22
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine 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

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine
CID 338334
(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 10948221
2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45267782
(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine
CID 45269553
3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45270375
(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272106
2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272107
(E)-3-methyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272940
N-benzyloxy-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 46878947
(2S,6S)-1-allyl-N-benzyloxy-3,3-dimethyl-2,6-diphenyl-piperidin-4-imine
CID 71451465
(2R,3S,6S)-1-allyl-N-benzyloxy-3-methyl-2,6-bis(p-tolyl)piperidin-4-imine
CID 71453286

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
The IUPAC name of 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine (CID 86248628) is 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine.
What is the SMILES notation for 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
The canonical SMILES for 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine is CCCCN1CC(c2ccccc2)=NOC1c1ccccc1.
What is the InChIKey of 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
The InChIKey is FFMLELUPDDTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-3-14-21-15-18(16-10-6-4-7-11-16)20-22-19(21)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3.
What are the key properties of 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine has a molecular weight of 294.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine is sourced from PubChem (CID 86248628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).