9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C20H24N4O2 — CID 162637642

IUPAC9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(C2CC2)CCCC12CCCN2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H24N4O2/c25-19-20(11-5-13-24(19)16-8-9-16)10-4-12-23(20)14-17-21-22-18(26-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyBAWRNGWZQDNEJJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.86
Rot. Bonds4

About 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637642) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637642
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(C2CC2)CCCC12CCCN2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H24N4O2/c25-19-20(11-5-13-24(19)16-8-9-16)10-4-12-23(20)14-17-21-22-18(26-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
InChIKeyBAWRNGWZQDNEJJ-UHFFFAOYSA-N
XLogP2.86
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162630144
1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631324
9-cyclopropyl-1-[(3-hydroxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636091
(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97130544
9-cyclopropyl-1-[(2,3-dimethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162630680
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630917
2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole
CID 157019802
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600122
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
CID 99973552

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162637642) is 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is O=C1N(C2CC2)CCCC12CCCN2Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BAWRNGWZQDNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19-20(11-5-13-24(19)16-8-9-16)10-4-12-23(20)14-17-21-22-18(26-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 352.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).