7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

C20H26N4O3 — CID 10292582

IUPAC7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESO=C1CN(Cc2ccccc2)CC2OC3(CCN(C4=NCCO4)CC3)CN12
InChIInChI=1S/C20H26N4O3/c25-17-13-22(12-16-4-2-1-3-5-16)14-18-24(17)15-20(27-18)6-9-23(10-7-20)19-21-8-11-26-19/h1-5,18H,6-15H2
InChIKeyIRGRFVMBFSTQTG-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.91
Rot. Bonds2

About 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 10292582) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID10292582
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESO=C1CN(Cc2ccccc2)CC2OC3(CCN(C4=NCCO4)CC3)CN12
InChIInChI=1S/C20H26N4O3/c25-17-13-22(12-16-4-2-1-3-5-16)14-18-24(17)15-20(27-18)6-9-23(10-7-20)19-21-8-11-26-19/h1-5,18H,6-15H2
InChIKeyIRGRFVMBFSTQTG-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one with MolForge

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Related Compounds

7-(4-bromophenyl)sulfanyl-1'-(pyridin-4-ylmethyl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 142152034
(7S)-9-benzyl-6-oxa-9-azaspiro[4.5]decane-7-carbaldehyde
CID 118356567
9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374652
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
7-(4-bromophenyl)sulfanyl-1'-pyridin-4-ylspiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 142152046
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(2S)-4-benzyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
CID 23254438
(4aR,9aS,9bR)-1'-benzylspiro[3,4,4a,7,8,9,9a,9b-octahydropyrano[3,4-a]pyrrolizine-5,4'-piperidine]-1-one
CID 26314217
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 130677273
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (CID 10292582) is 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is O=C1CN(Cc2ccccc2)CC2OC3(CCN(C4=NCCO4)CC3)CN12.
What is the InChIKey of 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is IRGRFVMBFSTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-17-13-22(12-16-4-2-1-3-5-16)14-18-24(17)15-20(27-18)6-9-23(10-7-20)19-21-8-11-26-19/h1-5,18H,6-15H2.
What are the key properties of 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 370.45 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1'-(4,5-dihydro-1,3-oxazol-2-yl)spiro[3,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 10292582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).