2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine

C21H17F2NO — CID 54416311

IUPAC2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(Cc2ccc3ccccc3c2)CCO1
InChIInChI=1S/C21H17F2NO/c22-18-6-3-7-19(23)20(18)21-24-17(10-11-25-21)13-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12,17H,10-11,13H2
InChIKeyVXROBRULFLDYKQ-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.90
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine

2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54416311) has the molecular formula C21H17F2NO and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54416311
Molecular FormulaC21H17F2NO
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC Name2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(Cc2ccc3ccccc3c2)CCO1
InChIInChI=1S/C21H17F2NO/c22-18-6-3-7-19(23)20(18)21-24-17(10-11-25-21)13-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12,17H,10-11,13H2
InChIKeyVXROBRULFLDYKQ-UHFFFAOYSA-N
XLogP4.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
2-(2,6-Difluorophenyl)-4-(2-methyl-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008036
(3S,4R)-3-fluoro-2'-naphthalen-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665170
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
CID 134954194
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
CID 135065057
4-(3,5-Bis(trifluoromethyl)phenyl)-2-(naphthalen-1-yl)-4,5-dihydrooxazole
CID 146025891
(4aS,10bR)-4a-fluoro-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 154714290
(4aS,10bR)-4a-fluoro-10-methyl-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 176438720
(5S,6S)-6-fluoro-5-phenyl-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 178252043
1,8-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)anthracene
CID 11350119
2-[1-[2-(4,5-Dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 15315481
Anthracenyl-oxazoline
CID 22999524

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine (CID 54416311) is 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(F)c1C1=NC(Cc2ccc3ccccc3c2)CCO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is VXROBRULFLDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO/c22-18-6-3-7-19(23)20(18)21-24-17(10-11-25-21)13-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12,17H,10-11,13H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 337.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(naphthalen-2-ylmethyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54416311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).