2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

C16H24N4O3 — CID 72931062

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCc1noc(C)c1CN1CC2(CCN(CC(N)=O)CC2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-11-13(12(2)23-18-11)8-20-10-16(7-15(20)22)3-5-19(6-4-16)9-14(17)21/h3-10H2,1-2H3,(H2,17,21)
InChIKeyUMPOIBGSUJCIDA-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.59
Rot. Bonds4

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 72931062) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
PubChem CID72931062
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCc1noc(C)c1CN1CC2(CCN(CC(N)=O)CC2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-11-13(12(2)23-18-11)8-20-10-16(7-15(20)22)3-5-19(6-4-16)9-14(17)21/h3-10H2,1-2H3,(H2,17,21)
InChIKeyUMPOIBGSUJCIDA-UHFFFAOYSA-N
XLogP0.59
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374212
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1H-imidazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72886185
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72919828
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131657386
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648152
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72940901
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97399153
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374214
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131658459
4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 72853756
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134077860
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696146

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 72931062) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is Cc1noc(C)c1CN1CC2(CCN(CC(N)=O)CC2)CC1=O.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is UMPOIBGSUJCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-13(12(2)23-18-11)8-20-10-16(7-15(20)22)3-5-19(6-4-16)9-14(17)21/h3-10H2,1-2H3,(H2,17,21).
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 72931062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).