8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H14N4O3 — CID 154829410

IUPAC8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(c3nc4ccccc4o3)CC2)N1
InChIInChI=1S/C14H14N4O3/c19-11-14(17-12(20)16-11)5-7-18(8-6-14)13-15-9-3-1-2-4-10(9)21-13/h1-4H,5-8H2,(H2,16,17,19,20)
InChIKeyURCSYXVKAQKLHU-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.01
Rot. Bonds1

About 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 154829410) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID154829410
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(c3nc4ccccc4o3)CC2)N1
InChIInChI=1S/C14H14N4O3/c19-11-14(17-12(20)16-11)5-7-18(8-6-14)13-15-9-3-1-2-4-10(9)21-13/h1-4H,5-8H2,(H2,16,17,19,20)
InChIKeyURCSYXVKAQKLHU-UHFFFAOYSA-N
XLogP1.01
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 131850050
7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130799617
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 174972137
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774642
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 154829410) is 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(c3nc4ccccc4o3)CC2)N1.
What is the InChIKey of 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is URCSYXVKAQKLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-11-14(17-12(20)16-11)5-7-18(8-6-14)13-15-9-3-1-2-4-10(9)21-13/h1-4H,5-8H2,(H2,16,17,19,20).
What are the key properties of 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 286.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154829410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).