(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O4 — CID 97139032

IUPAC(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nonc1CC(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H26N4O4/c1-13-15(20-26-19-13)11-16(23)21-8-6-18(12-21)5-2-7-22(17(18)24)14-3-9-25-10-4-14/h14H,2-12H2,1H3/t18-/m0/s1
InChIKeyVVEPMZZHTPGQTD-SFHVURJKSA-N
MW362.43 g/mol
LogP0.94
Rot. Bonds3

About (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97139032) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97139032
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nonc1CC(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H26N4O4/c1-13-15(20-26-19-13)11-16(23)21-8-6-18(12-21)5-2-7-22(17(18)24)14-3-9-25-10-4-14/h14H,2-12H2,1H3/t18-/m0/s1
InChIKeyVVEPMZZHTPGQTD-SFHVURJKSA-N
XLogP0.94
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870949
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
(5S)-2-(5-methyl-2H-triazole-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127372
2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844359
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
2-(5-methyl-1,2-oxazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913600
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142794
2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72841848
(5S)-2-(5-ethyl-1H-pyrrole-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127244
3-[2-[(5R)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97122102
5-[(5R)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1,2-oxazol-3-one
CID 97110294

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97139032) is (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nonc1CC(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VVEPMZZHTPGQTD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-15(20-26-19-13)11-16(23)21-8-6-18(12-21)5-2-7-22(17(18)24)14-3-9-25-10-4-14/h14H,2-12H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.43 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97139032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).