3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide

C18H25N3O3 — CID 97494243

IUPAC3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C18H25N3O3/c1-4-11-21-15(22)7-10-18(21)8-5-14(6-9-18)19-17(23)16-12(2)20-24-13(16)3/h4,14H,1,5-11H2,2-3H3,(H,19,23)
InChIKeyREVAWVJSEIQZQA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.51
Rot. Bonds4

About 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide (PubChem CID 97494243) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide
PubChem CID97494243
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C18H25N3O3/c1-4-11-21-15(22)7-10-18(21)8-5-14(6-9-18)19-17(23)16-12(2)20-24-13(16)3/h4,14H,1,5-11H2,2-3H3,(H,19,23)
InChIKeyREVAWVJSEIQZQA-UHFFFAOYSA-N
XLogP2.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
CID 97494238
3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide
CID 97397443
1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
CID 155870100
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97397451
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide
CID 100716037
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
3,5-dimethyl-N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-1,2-oxazole-4-carboxamide
CID 110212861
3,5-dimethyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)-1,2-oxazole-4-carboxamide
CID 46973346
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide (CID 97494243) is 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide is C=CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2.
What is the InChIKey of 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is REVAWVJSEIQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-11-21-15(22)7-10-18(21)8-5-14(6-9-18)19-17(23)16-12(2)20-24-13(16)3/h4,14H,1,5-11H2,2-3H3,(H,19,23).
What are the key properties of 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97494243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).