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

C28H34N4O4 — CID 157026178

IUPAC(R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol
SMILESCOC1(c2noc(-c3cncc([C@@](O)(c4ccc(C5CC5)cc4)C4(C)CN(C)C4)c3)n2)CCOCC1
InChIInChI=1S/C28H34N4O4/c1-26(17-32(2)18-26)28(33,22-8-6-20(7-9-22)19-4-5-19)23-14-21(15-29-16-23)24-30-25(31-36-24)27(34-3)10-12-35-13-11-27/h6-9,14-16,19,33H,4-5,10-13,17-18H2,1-3H3/t28-/m0/s1
InChIKeyLSYGQYAKZZXEOI-NDEPHWFRSA-N
MW490.60 g/mol
LogP3.85
Rot. Bonds7

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

(R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol (PubChem CID 157026178) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name(R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol
PubChem CID157026178
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name(R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol
SMILESCOC1(c2noc(-c3cncc([C@@](O)(c4ccc(C5CC5)cc4)C4(C)CN(C)C4)c3)n2)CCOCC1
InChIInChI=1S/C28H34N4O4/c1-26(17-32(2)18-26)28(33,22-8-6-20(7-9-22)19-4-5-19)23-14-21(15-29-16-23)24-30-25(31-36-24)27(34-3)10-12-35-13-11-27/h6-9,14-16,19,33H,4-5,10-13,17-18H2,1-3H3/t28-/m0/s1
InChIKeyLSYGQYAKZZXEOI-NDEPHWFRSA-N
XLogP3.85
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol
CID 157025862
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)-(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
(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026196
(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-[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)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026584
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
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904541
2-chloro-5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741984
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
CID 146142994

Frequently Asked Questions

What is the IUPAC name of (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol?
The IUPAC name of (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) is (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol.
What is the SMILES notation for (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol?
The canonical SMILES for (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol is COC1(c2noc(-c3cncc([C@@](O)(c4ccc(C5CC5)cc4)C4(C)CN(C)C4)c3)n2)CCOCC1.
What is the InChIKey of (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol?
The InChIKey is LSYGQYAKZZXEOI-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-26(17-32(2)18-26)28(33,22-8-6-20(7-9-22)19-4-5-19)23-14-21(15-29-16-23)24-30-25(31-36-24)27(34-3)10-12-35-13-11-27/h6-9,14-16,19,33H,4-5,10-13,17-18H2,1-3H3/t28-/m0/s1.
What are the key properties of (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol?
(R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol has a molecular weight of 490.60 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-cyclopropylphenyl)-(1,3-dimethylazetidin-3-yl)-[5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 157026178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).