(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C18H22N4O2 — CID 3233871

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C18H22N4O2/c1-13-16(14(2)24-20-13)17(23)21-9-6-18(7-10-21)11-22(12-18)15-5-3-4-8-19-15/h3-5,8H,6-7,9-12H2,1-2H3
InChIKeyXUONWEWKNLLSSN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 3233871) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID3233871
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C18H22N4O2/c1-13-16(14(2)24-20-13)17(23)21-9-6-18(7-10-21)11-22(12-18)15-5-3-4-8-19-15/h3-5,8H,6-7,9-12H2,1-2H3
InChIKeyXUONWEWKNLLSSN-UHFFFAOYSA-N
XLogP2.43
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 3233871) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccn1)C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is XUONWEWKNLLSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-16(14(2)24-20-13)17(23)21-9-6-18(7-10-21)11-22(12-18)15-5-3-4-8-19-15/h3-5,8H,6-7,9-12H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 3233871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).