(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

C27H34N4O3 — CID 157025987

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3noc(CC4CCCO4)n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C27H34N4O3/c1-18(2)19-7-9-21(10-8-19)27(32,26(3)16-31(4)17-26)22-12-20(14-28-15-22)25-29-24(34-30-25)13-23-6-5-11-33-23/h7-10,12,14-15,18,23,32H,5-6,11,13,16-17H2,1-4H3/t23?,27-/m0/s1
InChIKeyBKLQMADMSUZMCO-JVHFYALYSA-N
MW462.59 g/mol
LogP4.16
Rot. Bonds7

About (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 157025987) 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-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
PubChem CID157025987
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3noc(CC4CCCO4)n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C27H34N4O3/c1-18(2)19-7-9-21(10-8-19)27(32,26(3)16-31(4)17-26)22-12-20(14-28-15-22)25-29-24(34-30-25)13-23-6-5-11-33-23/h7-10,12,14-15,18,23,32H,5-6,11,13,16-17H2,1-4H3/t23?,27-/m0/s1
InChIKeyBKLQMADMSUZMCO-JVHFYALYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (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) is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(-c3noc(CC4CCCO4)n3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is BKLQMADMSUZMCO-JVHFYALYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-18(2)19-7-9-21(10-8-19)27(32,26(3)16-31(4)17-26)22-12-20(14-28-15-22)25-29-24(34-30-25)13-23-6-5-11-33-23/h7-10,12,14-15,18,23,32H,5-6,11,13,16-17H2,1-4H3/t23?,27-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 462.59 g/mol, XLogP of 4.16, 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-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157025987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).