8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H20N4O5 — CID 46975893

IUPAC8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)on2)c1
InChIInChI=1S/C19H20N4O5/c1-22-17(25)19(20-18(22)26)6-8-23(9-7-19)16(24)15-11-14(21-28-15)12-4-3-5-13(10-12)27-2/h3-5,10-11H,6-9H2,1-2H3,(H,20,26)
InChIKeySNHZPBLOAXWUBZ-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.51
Rot. Bonds3

About 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 46975893) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID46975893
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)on2)c1
InChIInChI=1S/C19H20N4O5/c1-22-17(25)19(20-18(22)26)6-8-23(9-7-19)16(24)15-11-14(21-28-15)12-4-3-5-13(10-12)27-2/h3-5,10-11H,6-9H2,1-2H3,(H,20,26)
InChIKeySNHZPBLOAXWUBZ-UHFFFAOYSA-N
XLogP1.51
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
(3aS,6aR)-5-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 167751118
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56911451
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 120804819
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
3-methyl-8-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978257
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 46975893) is 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)on2)c1.
What is the InChIKey of 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SNHZPBLOAXWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-22-17(25)19(20-18(22)26)6-8-23(9-7-19)16(24)15-11-14(21-28-15)12-4-3-5-13(10-12)27-2/h3-5,10-11H,6-9H2,1-2H3,(H,20,26).
What are the key properties of 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 384.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46975893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).