N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C18H23N5O2 — CID 121498257

IUPACN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)N1CCCC2(CCNC2)C1
InChIInChI=1S/C18H23N5O2/c24-17(23-10-4-7-18(13-23)8-9-19-12-18)20-11-15-21-16(25-22-15)14-5-2-1-3-6-14/h1-3,5-6,19H,4,7-13H2,(H,20,24)
InChIKeyQWIVAYGVKDJNNG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds3

About N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 121498257) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID121498257
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)N1CCCC2(CCNC2)C1
InChIInChI=1S/C18H23N5O2/c24-17(23-10-4-7-18(13-23)8-9-19-12-18)20-11-15-21-16(25-22-15)14-5-2-1-3-6-14/h1-3,5-6,19H,4,7-13H2,(H,20,24)
InChIKeyQWIVAYGVKDJNNG-UHFFFAOYSA-N
XLogP2.02
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 121498257) is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is O=C(NCc1noc(-c2ccccc2)n1)N1CCCC2(CCNC2)C1.
What is the InChIKey of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is QWIVAYGVKDJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(23-10-4-7-18(13-23)8-9-19-12-18)20-11-15-21-16(25-22-15)14-5-2-1-3-6-14/h1-3,5-6,19H,4,7-13H2,(H,20,24).
What are the key properties of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 121498257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).