1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one

C18H22N6O3 — CID 153432388

IUPAC1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one
SMILESO=C1C2NCNC2NCN1Cc1nc([C@H]2CO[C@H](c3ccccc3)C2)no1
InChIInChI=1S/C18H22N6O3/c25-18-15-17(20-9-19-15)21-10-24(18)7-14-22-16(23-27-14)12-6-13(26-8-12)11-4-2-1-3-5-11/h1-5,12-13,15,17,19-21H,6-10H2/t12-,13+,15?,17?/m1/s1
InChIKeySVSMZLYUCKYFBI-HGDLATOJSA-N
MW370.41 g/mol
LogP0.05
Rot. Bonds4

About 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one

1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one (PubChem CID 153432388) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one.

Molecular Properties

Compound Name1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one
PubChem CID153432388
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one
SMILESO=C1C2NCNC2NCN1Cc1nc([C@H]2CO[C@H](c3ccccc3)C2)no1
InChIInChI=1S/C18H22N6O3/c25-18-15-17(20-9-19-15)21-10-24(18)7-14-22-16(23-27-14)12-6-13(26-8-12)11-4-2-1-3-5-11/h1-5,12-13,15,17,19-21H,6-10H2/t12-,13+,15?,17?/m1/s1
InChIKeySVSMZLYUCKYFBI-HGDLATOJSA-N
XLogP0.05
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one with MolForge

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Related Compounds

4-[(2R,4R)-4-[5-[(5-methyl-4-oxo-1,2,4a,5,6,7-hexahydropyrazolo[5,1-f][1,2,4]triazin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]oxolan-2-yl]benzonitrile
CID 155883554
5-(chloromethyl)-3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 176544804
7-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,8,9,9a-tetrahydropyrimido[1,2-c]pyrimidine-2,6-dione
CID 155883549
2-[[3-[5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
CID 139486524
5-methyl-3-[[3-[(3R,5R)-5-(1-methylindazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,4a,5,6,7-hexahydropyrazolo[5,1-f][1,2,4]triazin-4-one
CID 155883557
7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 139486450
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one
CID 142140817
2-amino-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 155621044
7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
CID 155883540
5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 157095916
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8H-quinazoline-4,7-dione
CID 157085114
2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 139486540

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one?
The IUPAC name of 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one (CID 153432388) is 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one.
What is the SMILES notation for 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one?
The canonical SMILES for 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one is O=C1C2NCNC2NCN1Cc1nc([C@H]2CO[C@H](c3ccccc3)C2)no1.
What is the InChIKey of 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one?
The InChIKey is SVSMZLYUCKYFBI-HGDLATOJSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-18-15-17(20-9-19-15)21-10-24(18)7-14-22-16(23-27-14)12-6-13(26-8-12)11-4-2-1-3-5-11/h1-5,12-13,15,17,19-21H,6-10H2/t12-,13+,15?,17?/m1/s1.
What are the key properties of 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one?
1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one has a molecular weight of 370.41 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3S,5S)-5-phenyloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,7,8,9-hexahydro-2H-purin-6-one is sourced from PubChem (CID 153432388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).