6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine

C15H21NO — CID 5102402

IUPAC6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCC1OC(c2ccccc2)=NCC1C
InChIInChI=1S/C15H21NO/c1-3-4-10-14-12(2)11-16-15(17-14)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3
InChIKeyDSTQSQCJIMTZAD-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.66
Rot. Bonds4

About 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine

6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 5102402) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID5102402
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCC1OC(c2ccccc2)=NCC1C
InChIInChI=1S/C15H21NO/c1-3-4-10-14-12(2)11-16-15(17-14)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3
InChIKeyDSTQSQCJIMTZAD-UHFFFAOYSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554
4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
CID 123819241
6-butyl-2-phenyl-4H-1,3-oxazine
CID 54769462
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-ol
CID 14650602
(1S,2S)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 59097365
2-butyl-3-(phenylsulfanylmethyl)oxirane
CID 135050582
(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 89325688
2-[4-(4-dodecoxyphenyl)phenyl]-5-ethyl-4,5-dihydro-1,3-oxazole
CID 67920084
(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 125494779
1,1'-biphenyl;hexadecane
CID 173308514
(4S,6R)-4-(4-methylphenyl)-6-octadecyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 98766627

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 5102402) is 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine is CCCCC1OC(c2ccccc2)=NCC1C.
What is the InChIKey of 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is DSTQSQCJIMTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-10-14-12(2)11-16-15(17-14)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3.
What are the key properties of 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 231.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 5102402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).