(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H24N4O4 — CID 124835616

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1
InChIInChI=1S/C19H24N4O4/c1-13-16(14(2)27-22-13)17(24)23-11-19(12-23)10-15(5-9-26-19)4-8-25-18-20-6-3-7-21-18/h3,6-7,15H,4-5,8-12H2,1-2H3/t15-/m0/s1
InChIKeyZCSCSILPCUBJTL-HNNXBMFYSA-N
MW372.43 g/mol
LogP2.17
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124835616) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID124835616
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1
InChIInChI=1S/C19H24N4O4/c1-13-16(14(2)27-22-13)17(24)23-11-19(12-23)10-15(5-9-26-19)4-8-25-18-20-6-3-7-21-18/h3,6-7,15H,4-5,8-12H2,1-2H3/t15-/m0/s1
InChIKeyZCSCSILPCUBJTL-HNNXBMFYSA-N
XLogP2.17
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133140577
furan-3-yl-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124795434
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 133144911
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131645055
2-cyclopentyloxy-1-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131653717
(8R)-2-pyrimidin-2-yl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124909678
(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 154582309
(1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133142531
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155859698
(3,5-dimethyl-1,2-oxazol-4-yl)-[(7S)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124834860
[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124806988
2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124835616) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1noc(C)c1C(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is ZCSCSILPCUBJTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-16(14(2)27-22-13)17(24)23-11-19(12-23)10-15(5-9-26-19)4-8-25-18-20-6-3-7-21-18/h3,6-7,15H,4-5,8-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124835616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).