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

C15H21F3N4O2 — CID 97140917

IUPAC(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(Cc3nc(C(F)(F)F)no3)C2)C1=O
InChIInChI=1S/C15H21F3N4O2/c1-2-6-22-7-3-4-14(13(22)23)5-8-21(10-14)9-11-19-12(20-24-11)15(16,17)18/h2-10H2,1H3/t14-/m0/s1
InChIKeyKOPFBCJODDYZCI-AWEZNQCLSA-N
MW346.35 g/mol
LogP2.31
Rot. Bonds4

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

(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97140917) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97140917
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(Cc3nc(C(F)(F)F)no3)C2)C1=O
InChIInChI=1S/C15H21F3N4O2/c1-2-6-22-7-3-4-14(13(22)23)5-8-21(10-14)9-11-19-12(20-24-11)15(16,17)18/h2-10H2,1H3/t14-/m0/s1
InChIKeyKOPFBCJODDYZCI-AWEZNQCLSA-N
XLogP2.31
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97149425
7-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175644770
7-(2-hydroxyethyl)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 86285913
5-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97148508
2-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72893692
(5R)-2-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97134202
(6S)-2-(2-methoxyethyl)-8-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97116269
(5S)-7-(cyclobutylmethyl)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97129127
5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72855347
(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97122532
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163319449
7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176505485

Frequently Asked Questions

What is the IUPAC name of (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97140917) is (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@@]2(CCN(Cc3nc(C(F)(F)F)no3)C2)C1=O.
What is the InChIKey of (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KOPFBCJODDYZCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-2-6-22-7-3-4-14(13(22)23)5-8-21(10-14)9-11-19-12(20-24-11)15(16,17)18/h2-10H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-propyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97140917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).