3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole

C19H32N4O — CID 126424510

IUPAC3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(N2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)no1
InChIInChI=1S/C19H32N4O/c1-2-17-20-18(21-24-17)23-12-10-19(15-23)9-6-11-22(14-19)13-16-7-4-3-5-8-16/h16H,2-15H2,1H3/t19-/m1/s1
InChIKeyAZDIWTBBHTUJBO-LJQANCHMSA-N
MW332.49 g/mol
LogP3.50
Rot. Bonds4

About 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole

3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 126424510) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole
PubChem CID126424510
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(N2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)no1
InChIInChI=1S/C19H32N4O/c1-2-17-20-18(21-24-17)23-12-10-19(15-23)9-6-11-22(14-19)13-16-7-4-3-5-8-16/h16H,2-15H2,1H3/t19-/m1/s1
InChIKeyAZDIWTBBHTUJBO-LJQANCHMSA-N
XLogP3.50
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole with MolForge

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Related Compounds

9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
3-(2-azaspiro[4.4]nonan-2-yl)-5-propyl-1,2,4-oxadiazole
CID 131927423
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45221415
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788480
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731726
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70770124
1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 42519327
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482395

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole (CID 126424510) is 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(N2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)no1.
What is the InChIKey of 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is AZDIWTBBHTUJBO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-17-20-18(21-24-17)23-12-10-19(15-23)9-6-11-22(14-19)13-16-7-4-3-5-8-16/h16H,2-15H2,1H3/t19-/m1/s1.
What are the key properties of 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole?
3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 332.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 126424510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).