(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C13H23N5O2 — CID 104912490

IUPAC(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN1CCCN(C)C(c2noc([C@H]3C[C@@H](O)CN3)n2)C1
InChIInChI=1S/C13H23N5O2/c1-17-4-3-5-18(2)11(8-17)12-15-13(20-16-12)10-6-9(19)7-14-10/h9-11,14,19H,3-8H2,1-2H3/t9-,10-,11?/m1/s1
InChIKeyMCNSELQGXSMIGZ-DIOIDXFWSA-N
MW281.36 g/mol
LogP-0.23
Rot. Bonds2

About (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912490) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912490
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN1CCCN(C)C(c2noc([C@H]3C[C@@H](O)CN3)n2)C1
InChIInChI=1S/C13H23N5O2/c1-17-4-3-5-18(2)11(8-17)12-15-13(20-16-12)10-6-9(19)7-14-10/h9-11,14,19H,3-8H2,1-2H3/t9-,10-,11?/m1/s1
InChIKeyMCNSELQGXSMIGZ-DIOIDXFWSA-N
XLogP-0.23
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol 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

(3S,5S)-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912421
3-(1,4-dimethyl-1,4-diazepan-2-yl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467104
(3R,5R)-5-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103594990
(3S,5S)-5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912482
(3S,5S)-5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912517
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812856
(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912474
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912490) is (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CN1CCCN(C)C(c2noc([C@H]3C[C@@H](O)CN3)n2)C1.
What is the InChIKey of (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MCNSELQGXSMIGZ-DIOIDXFWSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-17-4-3-5-18(2)11(8-17)12-15-13(20-16-12)10-6-9(19)7-14-10/h9-11,14,19H,3-8H2,1-2H3/t9-,10-,11?/m1/s1.
What are the key properties of (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 281.36 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).