[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone

C16H19N5O2 — CID 110139275

IUPAC[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)c3ccno3)C2)C1
InChIInChI=1S/C16H19N5O2/c1-20(14-3-5-17-11-18-14)12-8-16(9-12)4-7-21(10-16)15(22)13-2-6-19-23-13/h2-3,5-6,11-12H,4,7-10H2,1H3
InChIKeyJCLKYLYCBBJZQN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.60
Rot. Bonds3

About [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 110139275) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID110139275
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)c3ccno3)C2)C1
InChIInChI=1S/C16H19N5O2/c1-20(14-3-5-17-11-18-14)12-8-16(9-12)4-7-21(10-16)15(22)13-2-6-19-23-13/h2-3,5-6,11-12H,4,7-10H2,1H3
InChIKeyJCLKYLYCBBJZQN-UHFFFAOYSA-N
XLogP1.60
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
CID 110139235
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
CID 110139378
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
N-methyl-N-pyrimidin-4-yl-6-(thiophen-3-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 110139315
N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139260
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
CID 98894548
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 130666904
1-[2-[methyl-(6-methylpyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-morpholin-4-ylethanone
CID 110139183
2-methyl-1-[(5R)-7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 97473084
(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171335788

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone (CID 110139275) is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone is CN(c1ccncn1)C1CC2(CCN(C(=O)c3ccno3)C2)C1.
What is the InChIKey of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is JCLKYLYCBBJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20(14-3-5-17-11-18-14)12-8-16(9-12)4-7-21(10-16)15(22)13-2-6-19-23-13/h2-3,5-6,11-12H,4,7-10H2,1H3.
What are the key properties of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone?
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110139275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).