2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C21H25N3O3 — CID 72851128

IUPAC2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)C1=O
InChIInChI=1S/C21H25N3O3/c1-15(2)24-10-3-8-21(20(24)26)9-11-23(13-21)19(25)17-6-4-16(5-7-17)18-12-22-14-27-18/h4-7,12,14-15H,3,8-11,13H2,1-2H3
InChIKeyGOTDRQLOUNJEEW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.20
Rot. Bonds3

About 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72851128) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72851128
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)C1=O
InChIInChI=1S/C21H25N3O3/c1-15(2)24-10-3-8-21(20(24)26)9-11-23(13-21)19(25)17-6-4-16(5-7-17)18-12-22-14-27-18/h4-7,12,14-15H,3,8-11,13H2,1-2H3
InChIKeyGOTDRQLOUNJEEW-UHFFFAOYSA-N
XLogP3.20
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70775890
(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97149053
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72840672
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802
[4-(1,3-oxazol-5-yl)phenyl]-(2-phenyl-1,4-oxazepan-4-yl)methanone
CID 138998156
(5R)-7-propan-2-yl-2-(3-prop-2-enoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148863
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72851128) is 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)C1=O.
What is the InChIKey of 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GOTDRQLOUNJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)24-10-3-8-21(20(24)26)9-11-23(13-21)19(25)17-6-4-16(5-7-17)18-12-22-14-27-18/h4-7,12,14-15H,3,8-11,13H2,1-2H3.
What are the key properties of 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 367.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72851128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).