(1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C18H26N6O2 — CID 87051806

IUPAC(1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCn1ccc(C(=O)N2CC(c3nc(C)no3)C3(CCN(C)CC3)C2)n1
InChIInChI=1S/C18H26N6O2/c1-4-24-8-5-15(20-24)17(25)23-11-14(16-19-13(2)21-26-16)18(12-23)6-9-22(3)10-7-18/h5,8,14H,4,6-7,9-12H2,1-3H3
InChIKeyOHHCQRSAZRATGL-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.55
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 87051806) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID87051806
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCn1ccc(C(=O)N2CC(c3nc(C)no3)C3(CCN(C)CC3)C2)n1
InChIInChI=1S/C18H26N6O2/c1-4-24-8-5-15(20-24)17(25)23-11-14(16-19-13(2)21-26-16)18(12-23)6-9-22(3)10-7-18/h5,8,14H,4,6-7,9-12H2,1-3H3
InChIKeyOHHCQRSAZRATGL-UHFFFAOYSA-N
XLogP1.55
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 87051806) is (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is CCn1ccc(C(=O)N2CC(c3nc(C)no3)C3(CCN(C)CC3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is OHHCQRSAZRATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-4-24-8-5-15(20-24)17(25)23-11-14(16-19-13(2)21-26-16)18(12-23)6-9-22(3)10-7-18/h5,8,14H,4,6-7,9-12H2,1-3H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 87051806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).