6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine

C17H14ClF2NO — CID 54063746

IUPAC6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1CN=C(c2c(F)cccc2F)OC1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2NO/c1-10-9-21-17(15-13(19)3-2-4-14(15)20)22-16(10)11-5-7-12(18)8-6-11/h2-8,10,16H,9H2,1H3
InChIKeyMBNFWZZTQOFCPR-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.77
Rot. Bonds2

About 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine

6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54063746) has the molecular formula C17H14ClF2NO and a molecular weight of 321.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID54063746
Molecular FormulaC17H14ClF2NO
Molecular Weight321.75 g/mol
Exact Mass321.07
IUPAC Name6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1CN=C(c2c(F)cccc2F)OC1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2NO/c1-10-9-21-17(15-13(19)3-2-4-14(15)20)22-16(10)11-5-7-12(18)8-6-11/h2-8,10,16H,9H2,1H3
InChIKeyMBNFWZZTQOFCPR-UHFFFAOYSA-N
XLogP4.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069415
(4S,5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069441
2-(4-chlorophenyl)-5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 12979398
4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 71739475
(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 142199826
(4R,5R)-4-(4-bromophenyl)-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 12056913
(4R,5R)-2-(2,6-difluorophenyl)-4-(4-iodophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069446
4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853281
(5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 142199838
5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 142128899
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
(4R,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 12056922

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine (CID 54063746) is 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine is CC1CN=C(c2c(F)cccc2F)OC1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is MBNFWZZTQOFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO/c1-10-9-21-17(15-13(19)3-2-4-14(15)20)22-16(10)11-5-7-12(18)8-6-11/h2-8,10,16H,9H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine?
6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 321.75 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5-methyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54063746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).