8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C14H15N3O3 — CID 131850050

IUPAC8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1COC2(CCN(c3nc4ccccc4o3)CC2)N1
InChIInChI=1S/C14H15N3O3/c18-12-9-19-14(16-12)5-7-17(8-6-14)13-15-10-3-1-2-4-11(10)20-13/h1-4H,5-9H2,(H,16,18)
InChIKeyZMKMWMPYMGNWOZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.27
Rot. Bonds1

About 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one

8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 131850050) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID131850050
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1COC2(CCN(c3nc4ccccc4o3)CC2)N1
InChIInChI=1S/C14H15N3O3/c18-12-9-19-14(16-12)5-7-17(8-6-14)13-15-10-3-1-2-4-11(10)20-13/h1-4H,5-9H2,(H,16,18)
InChIKeyZMKMWMPYMGNWOZ-UHFFFAOYSA-N
XLogP1.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829410
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
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
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
4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 17491566
1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56915489
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 131850050) is 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is O=C1COC2(CCN(c3nc4ccccc4o3)CC2)N1.
What is the InChIKey of 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZMKMWMPYMGNWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12-9-19-14(16-12)5-7-17(8-6-14)13-15-10-3-1-2-4-11(10)20-13/h1-4H,5-9H2,(H,16,18).
What are the key properties of 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 273.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131850050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).