(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C20H26N4O2 — CID 97395689

IUPAC(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1noc(C)c1CN1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)13-23-9-4-6-20(14-23)7-10-24(19(20)25)12-17-5-3-8-21-11-17/h3,5,8,11H,4,6-7,9-10,12-14H2,1-2H3/t20-/m1/s1
InChIKeyXUZUGQIIIWNIBR-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.70
Rot. Bonds4

About (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97395689) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97395689
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1noc(C)c1CN1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)13-23-9-4-6-20(14-23)7-10-24(19(20)25)12-17-5-3-8-21-11-17/h3,5,8,11H,4,6-7,9-10,12-14H2,1-2H3/t20-/m1/s1
InChIKeyXUZUGQIIIWNIBR-HXUWFJFHSA-N
XLogP2.70
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075078
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
2-[(2,5-dimethylphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45244514
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45216412
2-(pyridin-3-ylmethyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155829354

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97395689) is (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1noc(C)c1CN1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1.
What is the InChIKey of (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XUZUGQIIIWNIBR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)13-23-9-4-6-20(14-23)7-10-24(19(20)25)12-17-5-3-8-21-11-17/h3,5,8,11H,4,6-7,9-10,12-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97395689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).