8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C22H23N3O3 — CID 27162530

IUPAC8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2nnc([C@H](c3ccccc3)N3CCC4(CC3)OCCO4)o2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-7-17(8-4-1)19(25-13-11-22(12-14-25)26-15-16-27-22)21-24-23-20(28-21)18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1
InChIKeyZVHBEFMMGQNEBW-IBGZPJMESA-N
MW377.44 g/mol
LogP3.66
Rot. Bonds4

About 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 27162530) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID27162530
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2nnc([C@H](c3ccccc3)N3CCC4(CC3)OCCO4)o2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-7-17(8-4-1)19(25-13-11-22(12-14-25)26-15-16-27-22)21-24-23-20(28-21)18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1
InChIKeyZVHBEFMMGQNEBW-IBGZPJMESA-N
XLogP3.66
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(S)-(4-bromophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92734452
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
2-[(S)-(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719971
2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719968
2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole
CID 92724533
2-[(R)-(4-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92734451
2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 46249026
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
2-[(S)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707804
2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92893066
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148

Frequently Asked Questions

What is the IUPAC name of 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 27162530) is 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(-c2nnc([C@H](c3ccccc3)N3CCC4(CC3)OCCO4)o2)cc1.
What is the InChIKey of 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ZVHBEFMMGQNEBW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-7-17(8-4-1)19(25-13-11-22(12-14-25)26-15-16-27-22)21-24-23-20(28-21)18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1.
What are the key properties of 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 377.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 27162530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).