N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H25N5O2 — CID 56883814

IUPACN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C19H25N5O2/c1-24(12-16-22-17(23-26-16)14-5-3-2-4-6-14)18(25)15-11-19(13-21-15)7-9-20-10-8-19/h2-6,15,20-21H,7-13H2,1H3
InChIKeyWATOLLDGORNBNJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56883814) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56883814
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C19H25N5O2/c1-24(12-16-22-17(23-26-16)14-5-3-2-4-6-14)18(25)15-11-19(13-21-15)7-9-20-10-8-19/h2-6,15,20-21H,7-13H2,1H3
InChIKeyWATOLLDGORNBNJ-UHFFFAOYSA-N
XLogP1.43
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95721467
N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881783
N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154892684
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide
CID 95883105
(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724507
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56883814) is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is WATOLLDGORNBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-24(12-16-22-17(23-26-16)14-5-3-2-4-6-14)18(25)15-11-19(13-21-15)7-9-20-10-8-19/h2-6,15,20-21H,7-13H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56883814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).