[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone

C24H24N4O3 — CID 164629827

IUPAC[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CN(C(=O)c1ccccc1)C[C@@H]2c1ncco1
InChIInChI=1S/C24H24N4O3/c29-22(18-5-2-1-3-6-18)28-16-20(21-26-11-14-31-21)24(17-28)8-12-27(13-9-24)23(30)19-7-4-10-25-15-19/h1-7,10-11,14-15,20H,8-9,12-13,16-17H2/t20-/m1/s1
InChIKeyFWQSMYPRFPTYEW-HXUWFJFHSA-N
MW416.48 g/mol
LogP3.23
Rot. Bonds3

About [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone

[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (PubChem CID 164629827) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
PubChem CID164629827
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CN(C(=O)c1ccccc1)C[C@@H]2c1ncco1
InChIInChI=1S/C24H24N4O3/c29-22(18-5-2-1-3-6-18)28-16-20(21-26-11-14-31-21)24(17-28)8-12-27(13-9-24)23(30)19-7-4-10-25-15-19/h1-7,10-11,14-15,20H,8-9,12-13,16-17H2/t20-/m1/s1
InChIKeyFWQSMYPRFPTYEW-HXUWFJFHSA-N
XLogP3.23
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone with MolForge

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Related Compounds

[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 164638524
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 146070506
[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
CID 171913207
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The IUPAC name of [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (CID 164629827) is [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.
What is the SMILES notation for [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The canonical SMILES for [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is O=C(c1cccnc1)N1CCC2(CC1)CN(C(=O)c1ccccc1)C[C@@H]2c1ncco1.
What is the InChIKey of [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The InChIKey is FWQSMYPRFPTYEW-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-22(18-5-2-1-3-6-18)28-16-20(21-26-11-14-31-21)24(17-28)8-12-27(13-9-24)23(30)19-7-4-10-25-15-19/h1-7,10-11,14-15,20H,8-9,12-13,16-17H2/t20-/m1/s1.
What are the key properties of [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone has a molecular weight of 416.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is sourced from PubChem (CID 164629827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).