4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one

C21H34N4O2 — CID 138057468

IUPAC4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one
SMILESCCc1noc(C2CCC3(CC2)NC(C)(C)C(=O)N3CC2CCCCC2)n1
InChIInChI=1S/C21H34N4O2/c1-4-17-22-18(27-23-17)16-10-12-21(13-11-16)24-20(2,3)19(26)25(21)14-15-8-6-5-7-9-15/h15-16,24H,4-14H2,1-3H3
InChIKeyNUXNBELWLLERTR-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.78
Rot. Bonds4

About 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one

4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one (PubChem CID 138057468) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one
PubChem CID138057468
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one
SMILESCCc1noc(C2CCC3(CC2)NC(C)(C)C(=O)N3CC2CCCCC2)n1
InChIInChI=1S/C21H34N4O2/c1-4-17-22-18(27-23-17)16-10-12-21(13-11-16)24-20(2,3)19(26)25(21)14-15-8-6-5-7-9-15/h15-16,24H,4-14H2,1-3H3
InChIKeyNUXNBELWLLERTR-UHFFFAOYSA-N
XLogP3.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one (CID 138057468) is 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one is CCc1noc(C2CCC3(CC2)NC(C)(C)C(=O)N3CC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one?
The InChIKey is NUXNBELWLLERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-17-22-18(27-23-17)16-10-12-21(13-11-16)24-20(2,3)19(26)25(21)14-15-8-6-5-7-9-15/h15-16,24H,4-14H2,1-3H3.
What are the key properties of 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one?
4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one has a molecular weight of 374.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-8-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,2-dimethyl-1,4-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 138057468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).