8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H24N4O3 — CID 70781638

IUPAC8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(Cc3ncc[nH]3)CC2)CN1CCOc1ccccc1
InChIInChI=1S/C19H24N4O3/c24-18-23(12-13-25-16-4-2-1-3-5-16)15-19(26-18)6-10-22(11-7-19)14-17-20-8-9-21-17/h1-5,8-9H,6-7,10-15H2,(H,20,21)
InChIKeyBUQXNRFMTQRYKM-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.28
Rot. Bonds6

About 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70781638) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70781638
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(Cc3ncc[nH]3)CC2)CN1CCOc1ccccc1
InChIInChI=1S/C19H24N4O3/c24-18-23(12-13-25-16-4-2-1-3-5-16)15-19(26-18)6-10-22(11-7-19)14-17-20-8-9-21-17/h1-5,8-9H,6-7,10-15H2,(H,20,21)
InChIKeyBUQXNRFMTQRYKM-UHFFFAOYSA-N
XLogP2.28
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1H-imidazol-2-ylmethyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70773746
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783189
8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70723870
8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774740
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749055
2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70707899
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729921
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779840
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
8-[(1R,3S)-3-aminocyclopentanecarbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 133130859
8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72890162

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70781638) is 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(Cc3ncc[nH]3)CC2)CN1CCOc1ccccc1.
What is the InChIKey of 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BUQXNRFMTQRYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18-23(12-13-25-16-4-2-1-3-5-16)15-19(26-18)6-10-22(11-7-19)14-17-20-8-9-21-17/h1-5,8-9H,6-7,10-15H2,(H,20,21).
What are the key properties of 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 356.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70781638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).