3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole

C22H27N5O — CID 97410441

IUPAC3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12
InChIInChI=1S/C22H27N5O/c1-16-19(17(2)28-25-16)15-26-11-8-22(9-12-26)21-23-14-20(27(21)13-10-24-22)18-6-4-3-5-7-18/h3-7,14,24H,8-13,15H2,1-2H3
InChIKeyDPSOZPDFYDWXDD-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.25
Rot. Bonds3

About 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole (PubChem CID 97410441) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole
PubChem CID97410441
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12
InChIInChI=1S/C22H27N5O/c1-16-19(17(2)28-25-16)15-26-11-8-22(9-12-26)21-23-14-20(27(21)13-10-24-22)18-6-4-3-5-7-18/h3-7,14,24H,8-13,15H2,1-2H3
InChIKeyDPSOZPDFYDWXDD-UHFFFAOYSA-N
XLogP3.25
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-benzyl-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97407019
1'-[(4-fluorophenyl)methyl]-3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171696659
2-[[3-(4-methoxyphenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
CID 97440582
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238201
3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
CID 165425432
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53192308
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
7-ethyl-1'-(furan-2-ylmethyl)-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361052
[4-anilino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873936
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 134078054
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-phenylcyclopropyl)methanone
CID 75527459

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole (CID 97410441) is 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12.
What is the InChIKey of 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole?
The InChIKey is DPSOZPDFYDWXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-19(17(2)28-25-16)15-26-11-8-22(9-12-26)21-23-14-20(27(21)13-10-24-22)18-6-4-3-5-7-18/h3-7,14,24H,8-13,15H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole has a molecular weight of 377.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 97410441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).