1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol

C19H23F3N4O4 — CID 148749375

IUPAC1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol
SMILESCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(O)N3CC(O)C3)C2)n1
InChIInChI=1S/C19H23F3N4O4/c1-11-23-17(30-24-11)14-6-13(7-25(8-14)18(28)26-9-15(27)10-26)12-2-4-16(5-3-12)29-19(20,21)22/h2-5,13-15,18,27-28H,6-10H2,1H3
InChIKeyOEJTXWJYEWMQAL-UHFFFAOYSA-N
MW428.41 g/mol
LogP1.80
Rot. Bonds5

About 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol

1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol (PubChem CID 148749375) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol
PubChem CID148749375
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol
SMILESCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(O)N3CC(O)C3)C2)n1
InChIInChI=1S/C19H23F3N4O4/c1-11-23-17(30-24-11)14-6-13(7-25(8-14)18(28)26-9-15(27)10-26)12-2-4-16(5-3-12)29-19(20,21)22/h2-5,13-15,18,27-28H,6-10H2,1H3
InChIKeyOEJTXWJYEWMQAL-UHFFFAOYSA-N
XLogP1.80
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol (CID 148749375) is 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol is Cc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(O)N3CC(O)C3)C2)n1.
What is the InChIKey of 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol?
The InChIKey is OEJTXWJYEWMQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4/c1-11-23-17(30-24-11)14-6-13(7-25(8-14)18(28)26-9-15(27)10-26)12-2-4-16(5-3-12)29-19(20,21)22/h2-5,13-15,18,27-28H,6-10H2,1H3.
What are the key properties of 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol?
1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol has a molecular weight of 428.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 148749375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).