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

C10H17N3O2 — CID 104912140

IUPAC(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(C)Cc1noc([C@H]2C[C@@H](O)CN2)n1
InChIInChI=1S/C10H17N3O2/c1-6(2)3-9-12-10(15-13-9)8-4-7(14)5-11-8/h6-8,11,14H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyGULZUTTVMQWDRU-HTQZYQBOSA-N
MW211.26 g/mol
LogP0.66
Rot. Bonds3

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

(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912140) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912140
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(C)Cc1noc([C@H]2C[C@@H](O)CN2)n1
InChIInChI=1S/C10H17N3O2/c1-6(2)3-9-12-10(15-13-9)8-4-7(14)5-11-8/h6-8,11,14H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyGULZUTTVMQWDRU-HTQZYQBOSA-N
XLogP0.66
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131020606
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911066
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
(3R,5R)-5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103146226
(3R,5R)-5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912230

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912140) is (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CC(C)Cc1noc([C@H]2C[C@@H](O)CN2)n1.
What is the InChIKey of (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is GULZUTTVMQWDRU-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)3-9-12-10(15-13-9)8-4-7(14)5-11-8/h6-8,11,14H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 211.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).