(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C23H29N3O5S — CID 24618721

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCc1oc(-c2cccs2)nc1COC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H29N3O5S/c1-14-16(24-19(31-14)17-6-5-11-32-17)13-30-18(27)12-26-20(28)23(25-21(26)29)9-7-15(8-10-23)22(2,3)4/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,25,29)
InChIKeyZZCHQIRVVJJVBD-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.28
Rot. Bonds5

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 24618721) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID24618721
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCc1oc(-c2cccs2)nc1COC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C23H29N3O5S/c1-14-16(24-19(31-14)17-6-5-11-32-17)13-30-18(27)12-26-20(28)23(25-21(26)29)9-7-15(8-10-23)22(2,3)4/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,25,29)
InChIKeyZZCHQIRVVJJVBD-UHFFFAOYSA-N
XLogP4.28
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 55448616
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093904
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094202
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 24657434
5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 30295078
(4-methylsulfanylphenyl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9011202
(4-nitrophenyl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9011182
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55391549
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 75416781
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 30908157
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
CID 55517849
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 24618721) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is Cc1oc(-c2cccs2)nc1COC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is ZZCHQIRVVJJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-14-16(24-19(31-14)17-6-5-11-32-17)13-30-18(27)12-26-20(28)23(25-21(26)29)9-7-15(8-10-23)22(2,3)4/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,25,29).
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 459.57 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 24618721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).