3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one

C17H16ClNO2 — CID 25183173

IUPAC3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C17H16ClNO2/c1-17(13-5-3-2-4-6-13)11-12-19(16(20)21-17)15-9-7-14(18)8-10-15/h2-10H,11-12H2,1H3
InChIKeyZOQDAVOCQCXTKU-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.60
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one

3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25183173) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25183173
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C17H16ClNO2/c1-17(13-5-3-2-4-6-13)11-12-19(16(20)21-17)15-9-7-14(18)8-10-15/h2-10H,11-12H2,1H3
InChIKeyZOQDAVOCQCXTKU-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(benzyloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate
CID 10223679
6-(3-chlorophenylamino)-4,4-diethyl-1-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
CID 11739446
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
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-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183313
6-Methyl-6-phenyl-3-m-tolyl-1,3-oxazinan-2-one
CID 25183314
6-Methyl-3,6-diphenyl-1,3-oxazinan-2-one
CID 25183315
3-[3-(4-Fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183604
3-[3-(2,4-Difluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183753

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25183173) is 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2ccc(Cl)cc2)C(=O)O1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is ZOQDAVOCQCXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-17(13-5-3-2-4-6-13)11-12-19(16(20)21-17)15-9-7-14(18)8-10-15/h2-10H,11-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 301.77 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25183173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).