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

C18H22N4O4 — CID 133140577

IUPAC(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1ncoc1C(=O)N1CC2(CC(CCOc3ncccn3)CCO2)C1
InChIInChI=1S/C18H22N4O4/c1-13-15(25-12-21-13)16(23)22-10-18(11-22)9-14(4-8-26-18)3-7-24-17-19-5-2-6-20-17/h2,5-6,12,14H,3-4,7-11H2,1H3
InChIKeyRIITUZBSTGXMIN-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.86
Rot. Bonds5

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

(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 133140577) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID133140577
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1ncoc1C(=O)N1CC2(CC(CCOc3ncccn3)CCO2)C1
InChIInChI=1S/C18H22N4O4/c1-13-15(25-12-21-13)16(23)22-10-18(11-22)9-14(4-8-26-18)3-7-24-17-19-5-2-6-20-17/h2,5-6,12,14H,3-4,7-11H2,1H3
InChIKeyRIITUZBSTGXMIN-UHFFFAOYSA-N
XLogP1.86
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[(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
(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
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131645055
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
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
(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
2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670
(4-methyl-1,3-oxazol-5-yl)-[(7R)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124809714
3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 131671965

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 133140577) is (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1ncoc1C(=O)N1CC2(CC(CCOc3ncccn3)CCO2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is RIITUZBSTGXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13-15(25-12-21-13)16(23)22-10-18(11-22)9-14(4-8-26-18)3-7-24-17-19-5-2-6-20-17/h2,5-6,12,14H,3-4,7-11H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 358.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 133140577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).