(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol

C27H34N4O3 — CID 157025862

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol
SMILESCCCc1ccc([C@](O)(c2cncc(-c3nc(C4CCOCC4)no3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C27H34N4O3/c1-4-5-19-6-8-22(9-7-19)27(32,26(2)17-31(3)18-26)23-14-21(15-28-16-23)25-29-24(30-34-25)20-10-12-33-13-11-20/h6-9,14-16,20,32H,4-5,10-13,17-18H2,1-3H3/t27-/m0/s1
InChIKeyNGQSPVPYHBARGD-MHZLTWQESA-N
MW462.59 g/mol
LogP4.17
Rot. Bonds7

About (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol (PubChem CID 157025862) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol
PubChem CID157025862
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol
SMILESCCCc1ccc([C@](O)(c2cncc(-c3nc(C4CCOCC4)no3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C27H34N4O3/c1-4-5-19-6-8-22(9-7-19)27(32,26(2)17-31(3)18-26)23-14-21(15-28-16-23)25-29-24(30-34-25)20-10-12-33-13-11-20/h6-9,14-16,20,32H,4-5,10-13,17-18H2,1-3H3/t27-/m0/s1
InChIKeyNGQSPVPYHBARGD-MHZLTWQESA-N
XLogP4.17
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol with MolForge

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Related Compounds

1-[4-[5-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methoxyethanone
CID 175383032
1-[4-[5-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methoxyethanone
CID 157026330
(R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol
CID 157026178
2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-5-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
CID 171853784
(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157025874
(1,3-dimethylazetidin-3-yl)-[5-[5-(oxan-4-yl)-1H-pyrrol-2-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 175382726
(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026584
(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157025987
(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol
CID 157026424
(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol
CID 175864654
(1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 170161793
(4S)-4-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 157026582

Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol (CID 157025862) is (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol is CCCc1ccc([C@](O)(c2cncc(-c3nc(C4CCOCC4)no3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol?
The InChIKey is NGQSPVPYHBARGD-MHZLTWQESA-N. The full InChI is InChI=1S/C27H34N4O3/c1-4-5-19-6-8-22(9-7-19)27(32,26(2)17-31(3)18-26)23-14-21(15-28-16-23)25-29-24(30-34-25)20-10-12-33-13-11-20/h6-9,14-16,20,32H,4-5,10-13,17-18H2,1-3H3/t27-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol has a molecular weight of 462.59 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol is sourced from PubChem (CID 157025862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).