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

C17H23N3O3 — CID 97494238

IUPAC5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)c1cc(C)on1)CC2
InChIInChI=1S/C17H23N3O3/c1-3-10-20-15(21)6-9-17(20)7-4-13(5-8-17)18-16(22)14-11-12(2)23-19-14/h3,11,13H,1,4-10H2,2H3,(H,18,22)
InChIKeyHNTCXGUMVKSMQD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.20
Rot. Bonds4

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

5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide (PubChem CID 97494238) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
PubChem CID97494238
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)c1cc(C)on1)CC2
InChIInChI=1S/C17H23N3O3/c1-3-10-20-15(21)6-9-17(20)7-4-13(5-8-17)18-16(22)14-11-12(2)23-19-14/h3,11,13H,1,4-10H2,2H3,(H,18,22)
InChIKeyHNTCXGUMVKSMQD-UHFFFAOYSA-N
XLogP2.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.20
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

3,5-dimethyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-4-carboxamide
CID 97494243
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
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97397451
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124794901
2-[[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]piperidin-1-yl]methyl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 166356591
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97040038
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide (CID 97494238) is 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide is C=CCN1C(=O)CCC12CCC(NC(=O)c1cc(C)on1)CC2.
What is the InChIKey of 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HNTCXGUMVKSMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-10-20-15(21)6-9-17(20)7-4-13(5-8-17)18-16(22)14-11-12(2)23-19-14/h3,11,13H,1,4-10H2,2H3,(H,18,22).
What are the key properties of 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97494238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).