(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol

C17H22N4O3 — CID 74229739

IUPAC(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H22N4O3/c22-15-11-20(10-14(15)21-6-8-23-9-7-21)12-16-18-17(19-24-16)13-4-2-1-3-5-13/h1-5,14-15,22H,6-12H2/t14-,15-/m0/s1
InChIKeyKBUNAUYULKGIOJ-GJZGRUSLSA-N
MW330.39 g/mol
LogP0.61
Rot. Bonds4

About (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol

(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 74229739) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID74229739
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H22N4O3/c22-15-11-20(10-14(15)21-6-8-23-9-7-21)12-16-18-17(19-24-16)13-4-2-1-3-5-13/h1-5,14-15,22H,6-12H2/t14-,15-/m0/s1
InChIKeyKBUNAUYULKGIOJ-GJZGRUSLSA-N
XLogP0.61
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340517
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64618321
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3,4-diol
CID 106672017
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
5-[[4-(oxolan-3-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 78896828
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
4-[5-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56755495
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (CID 74229739) is (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol is O[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is KBUNAUYULKGIOJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-11-20(10-14(15)21-6-8-23-9-7-21)12-16-18-17(19-24-16)13-4-2-1-3-5-13/h1-5,14-15,22H,6-12H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 330.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 74229739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).