5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one

C15H15N3O4 — CID 138999475

IUPAC5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C1CC2(CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C2)CN1
InChIInChI=1S/C15H15N3O4/c19-12-6-15(7-16-12)3-4-18(8-15)13(20)9-1-2-11-10(5-9)17-14(21)22-11/h1-2,5H,3-4,6-8H2,(H,16,19)(H,17,21)
InChIKeyCOPNGWAYQVTELZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.47
Rot. Bonds1

About 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one

5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 138999475) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one
PubChem CID138999475
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C1CC2(CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C2)CN1
InChIInChI=1S/C15H15N3O4/c19-12-6-15(7-16-12)3-4-18(8-15)13(20)9-1-2-11-10(5-9)17-14(21)22-11/h1-2,5H,3-4,6-8H2,(H,16,19)(H,17,21)
InChIKeyCOPNGWAYQVTELZ-UHFFFAOYSA-N
XLogP0.47
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-(piperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 82062834
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110802394
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 139006022
5-[4-[(1R,2R)-2-hydroxycycloheptyl]piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 167868688
(3,5-dichlorophenyl)methyl 7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 90018905
6-[7-[3-(3,5-dichlorophenyl)prop-2-enoyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]-3H-1,3-benzoxazol-2-one
CID 123328034
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide
CID 110812839
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005270

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one (CID 138999475) is 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one is O=C1CC2(CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C2)CN1.
What is the InChIKey of 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is COPNGWAYQVTELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-12-6-15(7-16-12)3-4-18(8-15)13(20)9-1-2-11-10(5-9)17-14(21)22-11/h1-2,5H,3-4,6-8H2,(H,16,19)(H,17,21).
What are the key properties of 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one?
5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 301.30 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxo-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 138999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).