1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H23N3O3 — CID 24623558

IUPAC1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C20H23N3O3/c1-14-16(21-17(26-14)15-9-5-3-6-10-15)13-23-18(24)20(22(2)19(23)25)11-7-4-8-12-20/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyRIZNXRGNLJSDRN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.75
Rot. Bonds3

About 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 24623558) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID24623558
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C20H23N3O3/c1-14-16(21-17(26-14)15-9-5-3-6-10-15)13-23-18(24)20(22(2)19(23)25)11-7-4-8-12-20/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyRIZNXRGNLJSDRN-UHFFFAOYSA-N
XLogP3.75
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 18150014
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
1-[methyl-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539918
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977013
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 95348668
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine
CID 56790452
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 24623558) is 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1oc(-c2ccccc2)nc1CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RIZNXRGNLJSDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-16(21-17(26-14)15-9-5-3-6-10-15)13-23-18(24)20(22(2)19(23)25)11-7-4-8-12-20/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3.
What are the key properties of 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 24623558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).