cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C18H27N3O2 — CID 118738838

IUPACcyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1noc(C)c1CN1CCCC2(CCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C18H27N3O2/c1-13-16(14(2)23-19-13)10-20-8-3-6-18(11-20)7-9-21(12-18)17(22)15-4-5-15/h15H,3-12H2,1-2H3
InChIKeyOSYMSEOXNUROFH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.52
Rot. Bonds3

About cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 118738838) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID118738838
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Namecyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1noc(C)c1CN1CCCC2(CCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C18H27N3O2/c1-13-16(14(2)23-19-13)10-20-8-3-6-18(11-20)7-9-21(12-18)17(22)15-4-5-15/h15H,3-12H2,1-2H3
InChIKeyOSYMSEOXNUROFH-UHFFFAOYSA-N
XLogP2.52
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 118738838) is cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1noc(C)c1CN1CCCC2(CCN(C(=O)C3CC3)C2)C1.
What is the InChIKey of cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is OSYMSEOXNUROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-16(14(2)23-19-13)10-20-8-3-6-18(11-20)7-9-21(12-18)17(22)15-4-5-15/h15H,3-12H2,1-2H3.
What are the key properties of cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 118738838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).