9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H27N5O3 — CID 72839531

IUPAC9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1
InChIInChI=1S/C20H27N5O3/c1-2-16-18(23-14-28-16)19(27)24-9-6-20(7-10-24)5-3-17(26)25(12-20)8-4-15-11-21-13-22-15/h11,13-14H,2-10,12H2,1H3,(H,21,22)
InChIKeyKJAOYQCKCUFYMT-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.05
Rot. Bonds5

About 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72839531) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72839531
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1
InChIInChI=1S/C20H27N5O3/c1-2-16-18(23-14-28-16)19(27)24-9-6-20(7-10-24)5-3-17(26)25(12-20)8-4-15-11-21-13-22-15/h11,13-14H,2-10,12H2,1H3,(H,21,22)
InChIKeyKJAOYQCKCUFYMT-UHFFFAOYSA-N
XLogP2.05
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72903406
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-4-methyl-2-(methylamino)pentanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72934711
2-[2-(1H-imidazol-5-yl)ethyl]-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921955
2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72870215
9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 133131311
(6S)-8-(3-ethyl-1,2-oxazole-5-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97109967
9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70758505
2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70759551
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122235
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113026
butyl (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 96573403
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260

Frequently Asked Questions

What is the IUPAC name of 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72839531) is 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1.
What is the InChIKey of 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KJAOYQCKCUFYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-2-16-18(23-14-28-16)19(27)24-9-6-20(7-10-24)5-3-17(26)25(12-20)8-4-15-11-21-13-22-15/h11,13-14H,2-10,12H2,1H3,(H,21,22).
What are the key properties of 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 385.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72839531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).