(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone

C16H18N4O2 — CID 138011647

IUPAC(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
SMILESNC1CN(C(=O)c2coc(-c3cccnc3)n2)CC12CCC2
InChIInChI=1S/C16H18N4O2/c17-13-8-20(10-16(13)4-2-5-16)15(21)12-9-22-14(19-12)11-3-1-6-18-7-11/h1,3,6-7,9,13H,2,4-5,8,10,17H2
InChIKeyVCKLWSOQIIUCDL-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.69
Rot. Bonds2

About (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone

(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone (PubChem CID 138011647) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
PubChem CID138011647
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
SMILESNC1CN(C(=O)c2coc(-c3cccnc3)n2)CC12CCC2
InChIInChI=1S/C16H18N4O2/c17-13-8-20(10-16(13)4-2-5-16)15(21)12-9-22-14(19-12)11-3-1-6-18-7-11/h1,3,6-7,9,13H,2,4-5,8,10,17H2
InChIKeyVCKLWSOQIIUCDL-UHFFFAOYSA-N
XLogP1.69
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
CID 136553748
(3S)-3-ethyl-4-(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-2-one
CID 136587026
(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone
CID 155955126
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258590
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 138034276
2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde
CID 115083655
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
CID 98007482
(3aS,6aR)-2-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682919
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991

Frequently Asked Questions

What is the IUPAC name of (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone (CID 138011647) is (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone is NC1CN(C(=O)c2coc(-c3cccnc3)n2)CC12CCC2.
What is the InChIKey of (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is VCKLWSOQIIUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-13-8-20(10-16(13)4-2-5-16)15(21)12-9-22-14(19-12)11-3-1-6-18-7-11/h1,3,6-7,9,13H,2,4-5,8,10,17H2.
What are the key properties of (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 138011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).