2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one

C19H15NO2S — CID 3555993

IUPAC2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one
SMILESCc1ccc(C2=NC3SC=C(c4ccccc4)C3C(=O)O2)cc1
InChIInChI=1S/C19H15NO2S/c1-12-7-9-14(10-8-12)17-20-18-16(19(21)22-17)15(11-23-18)13-5-3-2-4-6-13/h2-11,16,18H,1H3
InChIKeyHPWQYHNPTBLGKX-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one

2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one (PubChem CID 3555993) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one
PubChem CID3555993
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one
SMILESCc1ccc(C2=NC3SC=C(c4ccccc4)C3C(=O)O2)cc1
InChIInChI=1S/C19H15NO2S/c1-12-7-9-14(10-8-12)17-20-18-16(19(21)22-17)15(11-23-18)13-5-3-2-4-6-13/h2-11,16,18H,1H3
InChIKeyHPWQYHNPTBLGKX-UHFFFAOYSA-N
XLogP4.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325
2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
CID 7068225
2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
CID 86111368
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 2756650
4-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 164800110
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
2-phenyl-4-prop-2-enyl-4H-1,3-oxazol-5-one
CID 11127309
(4S)-4-(2-methoxybenzoyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 98512239
4-(2-methylsulfanylethyl)-2-[4-[4-(2-methylsulfanylethyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
CID 14529607
4-[1-(4-methylphenyl)-4-pyridinylidene]-2-phenyl-1,3-oxazol-5-one
CID 101166655
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one (CID 3555993) is 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one is Cc1ccc(C2=NC3SC=C(c4ccccc4)C3C(=O)O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is HPWQYHNPTBLGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-12-7-9-14(10-8-12)17-20-18-16(19(21)22-17)15(11-23-18)13-5-3-2-4-6-13/h2-11,16,18H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one?
2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 321.40 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydrothieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 3555993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).