(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C15H18N4O2 — CID 26743994

IUPAC(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CC2CC2)C1
InChIInChI=1S/C15H18N4O2/c20-12-6-13(19(9-12)8-10-3-4-10)15-17-14(18-21-15)11-2-1-5-16-7-11/h1-2,5,7,10,12-13,20H,3-4,6,8-9H2/t12-,13+/m1/s1
InChIKeyXBKVGSUPBBYILX-OLZOCXBDSA-N
MW286.33 g/mol
LogP1.65
Rot. Bonds4

About (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 26743994) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID26743994
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CC2CC2)C1
InChIInChI=1S/C15H18N4O2/c20-12-6-13(19(9-12)8-10-3-4-10)15-17-14(18-21-15)11-2-1-5-16-7-11/h1-2,5,7,10,12-13,20H,3-4,6,8-9H2/t12-,13+/m1/s1
InChIKeyXBKVGSUPBBYILX-OLZOCXBDSA-N
XLogP1.65
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-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

(3R,5S)-1-(cyclopropylmethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743592
1-(pyridin-4-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506891
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506880
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506877
1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506900
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol
CID 74507308
(3R,5S)-1-(cyclohexylmethyl)-5-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 163149561
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 26744162
(3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 26743772
1-(pyridin-3-ylmethyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506679
1-[(2-hydroxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506843
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 26743994) is (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CC2CC2)C1.
What is the InChIKey of (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is XBKVGSUPBBYILX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-12-6-13(19(9-12)8-10-3-4-10)15-17-14(18-21-15)11-2-1-5-16-7-11/h1-2,5,7,10,12-13,20H,3-4,6,8-9H2/t12-,13+/m1/s1.
What are the key properties of (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 26743994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).