(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C23H31N3O3 — CID 45206155

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC3(CCCN(Cc4cccc(OC)c4)C3)C2)o1
InChIInChI=1S/C23H31N3O3/c1-4-20-24-17(2)21(29-20)22(27)26-12-10-23(16-26)9-6-11-25(15-23)14-18-7-5-8-19(13-18)28-3/h5,7-8,13H,4,6,9-12,14-16H2,1-3H3
InChIKeyBQBKFMXYUTUOFK-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.68
Rot. Bonds5

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45206155) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID45206155
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC3(CCCN(Cc4cccc(OC)c4)C3)C2)o1
InChIInChI=1S/C23H31N3O3/c1-4-20-24-17(2)21(29-20)22(27)26-12-10-23(16-26)9-6-11-25(15-23)14-18-7-5-8-19(13-18)28-3/h5,7-8,13H,4,6,9-12,14-16H2,1-3H3
InChIKeyBQBKFMXYUTUOFK-UHFFFAOYSA-N
XLogP3.68
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 97482697
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 45209753
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
CID 45216500
1-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45204167
1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 25309622
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45206155) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is CCc1nc(C)c(C(=O)N2CCC3(CCCN(Cc4cccc(OC)c4)C3)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is BQBKFMXYUTUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-20-24-17(2)21(29-20)22(27)26-12-10-23(16-26)9-6-11-25(15-23)14-18-7-5-8-19(13-18)28-3/h5,7-8,13H,4,6,9-12,14-16H2,1-3H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45206155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).