(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C14H22N4O3 — CID 157012572

IUPAC(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCC(C)Cc1nc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)no1
InChIInChI=1S/C14H22N4O3/c1-9(2)3-13-16-12(17-21-13)6-18-4-10-7-20-8-11(5-18)15-14(10)19/h9-11H,3-8H2,1-2H3,(H,15,19)/t10-,11+/m1/s1
InChIKeyLYADJEOEGLNEHJ-MNOVXSKESA-N
MW294.35 g/mol
LogP0.21
Rot. Bonds4

About (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 157012572) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID157012572
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCC(C)Cc1nc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)no1
InChIInChI=1S/C14H22N4O3/c1-9(2)3-13-16-12(17-21-13)6-18-4-10-7-20-8-11(5-18)15-14(10)19/h9-11H,3-8H2,1-2H3,(H,15,19)/t10-,11+/m1/s1
InChIKeyLYADJEOEGLNEHJ-MNOVXSKESA-N
XLogP0.21
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one with MolForge

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Launch Full Analysis

Related Compounds

[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780847
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
CID 60506197
(1S,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155910832
3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70750009
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
(1S,5R)-7-[(2,6-difluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135091806
1-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]ethanamine
CID 81491345
(1S,2S,8S,11R,16S)-11-methyl-18-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-8-propan-2-yl-7,14,18-triazatricyclo[14.3.1.02,14]icosane-6,13-dione
CID 155971436
(3S,4S)-3-hydroxy-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 164689866
3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735006

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 157012572) is (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is CC(C)Cc1nc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)no1.
What is the InChIKey of (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is LYADJEOEGLNEHJ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)3-13-16-12(17-21-13)6-18-4-10-7-20-8-11(5-18)15-14(10)19/h9-11H,3-8H2,1-2H3,(H,15,19)/t10-,11+/m1/s1.
What are the key properties of (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 294.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 157012572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).