7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C26H26N2O2 — CID 23121897

IUPAC7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1ccc(CN2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)cc1
InChIInChI=1S/C26H26N2O2/c1-20-12-14-21(15-13-20)18-27-16-17-28-24(19-27)26(30-25(28)29,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3
InChIKeyWGTGFLNMBDNNDT-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.58
Rot. Bonds4

About 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 23121897) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID23121897
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1ccc(CN2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)cc1
InChIInChI=1S/C26H26N2O2/c1-20-12-14-21(15-13-20)18-27-16-17-28-24(19-27)26(30-25(28)29,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3
InChIKeyWGTGFLNMBDNNDT-UHFFFAOYSA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis(4-methylphenyl)-7-[(4-methylphenyl)methyl]-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 23121840
2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 22199601
2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398402
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 23121882
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
CID 44529572
1'-[(4-methylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,3'-azetidine]-4-one
CID 134795302
(4aR,5R)-3-benzyl-5'-methyl-2'-(4-methylphenyl)-8-(trifluoromethyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 124806017
3'-benzyl-1,3-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 4974735
(4aS,5S)-3-benzyl-2'-(4-chlorophenyl)-5'-methylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 92823727
[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 97276592
7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
CID 24734121
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 23121897) is 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is Cc1ccc(CN2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)cc1.
What is the InChIKey of 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is WGTGFLNMBDNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-20-12-14-21(15-13-20)18-27-16-17-28-24(19-27)26(30-25(28)29,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3.
What are the key properties of 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 398.51 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylphenyl)methyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 23121897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).