6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine

C15H15NO2 — CID 102338825

IUPAC6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine
SMILESCC1=CC(c2ccco2)ON(c2ccccc2)C1
InChIInChI=1S/C15H15NO2/c1-12-10-15(14-8-5-9-17-14)18-16(11-12)13-6-3-2-4-7-13/h2-10,15H,11H2,1H3
InChIKeyHTWDXKYOMGGTRM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.72
Rot. Bonds2

About 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine

6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine (PubChem CID 102338825) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine.

Molecular Properties

Compound Name6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine
PubChem CID102338825
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine
SMILESCC1=CC(c2ccco2)ON(c2ccccc2)C1
InChIInChI=1S/C15H15NO2/c1-12-10-15(14-8-5-9-17-14)18-16(11-12)13-6-3-2-4-7-13/h2-10,15H,11H2,1H3
InChIKeyHTWDXKYOMGGTRM-UHFFFAOYSA-N
XLogP3.72
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
CID 102077139
2-(furan-2-yl)-3-phenyl-2,4-dihydro-1H-quinazoline
CID 135070101
(3R,3aR,6aS)-3-(furan-2-yl)-2-methyl-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 46901200
2-(1,3-dimethyl-2H-inden-2-yl)furan
CID 10036025
(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099
(3R,3aR,6aR)-3-(furan-2-yl)-5-(2-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7707752
(3S,3aS,6aS)-3-(furan-2-yl)-2-(2-methylphenyl)-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98131713
2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 565046
(2R,5R)-5-(furan-2-yl)-1,2-diphenylpyrrolidin-3-one
CID 11197439
(1S,4R)-1-(furan-2-yl)-6-methyl-2,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584819
(3R,4R)-4-(furan-2-yl)-1,3-diphenylazetidin-2-one
CID 11346786
(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041984

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine?
The IUPAC name of 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine (CID 102338825) is 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine.
What is the SMILES notation for 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine?
The canonical SMILES for 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine is CC1=CC(c2ccco2)ON(c2ccccc2)C1.
What is the InChIKey of 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine?
The InChIKey is HTWDXKYOMGGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12-10-15(14-8-5-9-17-14)18-16(11-12)13-6-3-2-4-7-13/h2-10,15H,11H2,1H3.
What are the key properties of 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine?
6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine has a molecular weight of 241.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine is sourced from PubChem (CID 102338825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).