6-methyl-3,6-diphenyl-1,3-oxazinan-2-one

C17H17NO2 — CID 25183315

IUPAC6-methyl-3,6-diphenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccccc2)C(=O)O1
InChIInChI=1S/C17H17NO2/c1-17(14-8-4-2-5-9-14)12-13-18(16(19)20-17)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyPONWBSMVJDWOFO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.95
Rot. Bonds2

About 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one

6-methyl-3,6-diphenyl-1,3-oxazinan-2-one (PubChem CID 25183315) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methyl-3,6-diphenyl-1,3-oxazinan-2-one
PubChem CID25183315
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6-methyl-3,6-diphenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccccc2)C(=O)O1
InChIInChI=1S/C17H17NO2/c1-17(14-8-4-2-5-9-14)12-13-18(16(19)20-17)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyPONWBSMVJDWOFO-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2',4'-Difluorobiphenyl-3-yl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
CID 25182275
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
6-(3,4-difluorophenylamino)-4,4-diethyl-1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
CID 24758659
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
3-(2-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25147627
3-[3-(2-Fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25181744
6-Allyl-3-(2',4'-difluorobiphenyl-3-yl)-6-phenyl-1,3-oxazinan-2-one
CID 25182139
3-(2',4'-Difluorobiphenyl-3-yl)-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 25182553
3-(4-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183173
6-Methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 25183174
3-(Biphenyl-3-yl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183175
3-(3-Bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183312

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one?
The IUPAC name of 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one (CID 25183315) is 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2ccccc2)C(=O)O1.
What is the InChIKey of 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one?
The InChIKey is PONWBSMVJDWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(14-8-4-2-5-9-14)12-13-18(16(19)20-17)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one?
6-methyl-3,6-diphenyl-1,3-oxazinan-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,6-diphenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25183315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).