(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C21H25N3O3 — CID 97128119

IUPAC(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)c3conc3-c3ccccc3)C2)C1=O
InChIInChI=1S/C21H25N3O3/c1-2-11-23-12-6-9-21(20(23)26)10-13-24(15-21)19(25)17-14-27-22-18(17)16-7-4-3-5-8-16/h3-5,7-8,14H,2,6,9-13,15H2,1H3/t21-/m0/s1
InChIKeySBBRUVWNKRTUSI-NRFANRHFSA-N
MW367.45 g/mol
LogP3.21
Rot. Bonds4

About (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97128119) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97128119
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)c3conc3-c3ccccc3)C2)C1=O
InChIInChI=1S/C21H25N3O3/c1-2-11-23-12-6-9-21(20(23)26)10-13-24(15-21)19(25)17-14-27-22-18(17)16-7-4-3-5-8-16/h3-5,7-8,14H,2,6,9-13,15H2,1H3/t21-/m0/s1
InChIKeySBBRUVWNKRTUSI-NRFANRHFSA-N
XLogP3.21
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72879896
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304
(5S)-2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156605
(5S)-2-[1-(2-fluorophenyl)cyclopropanecarbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97147264
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 119074099
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176500913
2-(furan-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45188525
7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175642149
(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126438724

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 97128119) is (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@@]2(CCN(C(=O)c3conc3-c3ccccc3)C2)C1=O.
What is the InChIKey of (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SBBRUVWNKRTUSI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-11-23-12-6-9-21(20(23)26)10-13-24(15-21)19(25)17-14-27-22-18(17)16-7-4-3-5-8-16/h3-5,7-8,14H,2,6,9-13,15H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 367.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97128119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).