3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine

C19H22N2O — CID 134998431

IUPAC3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine
SMILESCc1ccc(C2=NOC(c3ccccc3)N(C(C)C)C2)cc1
InChIInChI=1S/C19H22N2O/c1-14(2)21-13-18(16-11-9-15(3)10-12-16)20-22-19(21)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3
InChIKeyCZKSXNNKQBKGCF-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.14
Rot. Bonds3

About 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine

3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine (PubChem CID 134998431) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine
PubChem CID134998431
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine
SMILESCc1ccc(C2=NOC(c3ccccc3)N(C(C)C)C2)cc1
InChIInChI=1S/C19H22N2O/c1-14(2)21-13-18(16-11-9-15(3)10-12-16)20-22-19(21)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3
InChIKeyCZKSXNNKQBKGCF-UHFFFAOYSA-N
XLogP4.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
8-methyl-N-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octan-3-imine
CID 46881579
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)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45269525
3,5-dimethyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45269526
(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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine?
The IUPAC name of 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine (CID 134998431) is 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine?
The canonical SMILES for 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine is Cc1ccc(C2=NOC(c3ccccc3)N(C(C)C)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine?
The InChIKey is CZKSXNNKQBKGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(2)21-13-18(16-11-9-15(3)10-12-16)20-22-19(21)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine?
3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine has a molecular weight of 294.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine is sourced from PubChem (CID 134998431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).