8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H28N4O5 — CID 110494032

IUPAC8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)cc1
InChIInChI=1S/C23H28N4O5/c1-14(2)27-21(29)23(24-22(27)30)9-11-26(12-10-23)20(28)17-5-7-18(8-6-17)31-13-19-15(3)25-32-16(19)4/h5-8,14H,9-13H2,1-4H3,(H,24,30)
InChIKeyVXBINEWDALMDBT-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.81
Rot. Bonds5

About 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110494032) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110494032
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)cc1
InChIInChI=1S/C23H28N4O5/c1-14(2)27-21(29)23(24-22(27)30)9-11-26(12-10-23)20(28)17-5-7-18(8-6-17)31-13-19-15(3)25-32-16(19)4/h5-8,14H,9-13H2,1-4H3,(H,24,30)
InChIKeyVXBINEWDALMDBT-UHFFFAOYSA-N
XLogP2.81
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7494471
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
methyl 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153800
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 29096991
8-(2-chloropyridine-4-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494071
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 30874435
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55644401
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 29096865
8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494072

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110494032) is 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1noc(C)c1COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)cc1.
What is the InChIKey of 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VXBINEWDALMDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-14(2)27-21(29)23(24-22(27)30)9-11-26(12-10-23)20(28)17-5-7-18(8-6-17)31-13-19-15(3)25-32-16(19)4/h5-8,14H,9-13H2,1-4H3,(H,24,30).
What are the key properties of 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110494032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).