[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C17H28N4O3 — CID 97396310

IUPAC[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC2(CC1)COCCN2CCN(C)C
InChIInChI=1S/C17H28N4O3/c1-14-15(12-18-24-14)16(22)20-6-4-17(5-7-20)13-23-11-10-21(17)9-8-19(2)3/h12H,4-11,13H2,1-3H3
InChIKeyGORDKXHDTZSHER-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.85
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 97396310) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID97396310
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC2(CC1)COCCN2CCN(C)C
InChIInChI=1S/C17H28N4O3/c1-14-15(12-18-24-14)16(22)20-6-4-17(5-7-20)13-23-11-10-21(17)9-8-19(2)3/h12H,4-11,13H2,1-3H3
InChIKeyGORDKXHDTZSHER-UHFFFAOYSA-N
XLogP0.85
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 97396310) is [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCC2(CC1)COCCN2CCN(C)C.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is GORDKXHDTZSHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-14-15(12-18-24-14)16(22)20-6-4-17(5-7-20)13-23-11-10-21(17)9-8-19(2)3/h12H,4-11,13H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 97396310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).