(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C12H15N3O3 — CID 96576097

IUPAC(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1nc(CN2CC[C@@]3(CC(=O)NC3=O)C2)co1
InChIInChI=1S/C12H15N3O3/c1-8-13-9(6-18-8)5-15-3-2-12(7-15)4-10(16)14-11(12)17/h6H,2-5,7H2,1H3,(H,14,16,17)/t12-/m1/s1
InChIKeyKAVDYGHAXUGPGZ-GFCCVEGCSA-N
MW249.27 g/mol
LogP0.22
Rot. Bonds2

About (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 96576097) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID96576097
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1nc(CN2CC[C@@]3(CC(=O)NC3=O)C2)co1
InChIInChI=1S/C12H15N3O3/c1-8-13-9(6-18-8)5-15-3-2-12(7-15)4-10(16)14-11(12)17/h6H,2-5,7H2,1H3,(H,14,16,17)/t12-/m1/s1
InChIKeyKAVDYGHAXUGPGZ-GFCCVEGCSA-N
XLogP0.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione with MolForge

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Related Compounds

(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355
2-[(3S)-1'-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95713205
7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70718335
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70734814
9-methyl-2-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 131948571
(3R)-8-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883048
4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 56887803
4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70728771
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 134795744

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 96576097) is (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is Cc1nc(CN2CC[C@@]3(CC(=O)NC3=O)C2)co1.
What is the InChIKey of (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is KAVDYGHAXUGPGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-13-9(6-18-8)5-15-3-2-12(7-15)4-10(16)14-11(12)17/h6H,2-5,7H2,1H3,(H,14,16,17)/t12-/m1/s1.
What are the key properties of (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 249.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 96576097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).