5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole

C14H21F2N3O — CID 176759376

IUPAC5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CNC1
InChIInChI=1S/C14H21F2N3O/c1-9(2)13(7-17-8-13)12-18-11(20-19-12)10-3-5-14(15,16)6-4-10/h9-10,17H,3-8H2,1-2H3
InChIKeyXSRRSDGJZQWEMQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.86
Rot. Bonds3

About 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole

5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole (PubChem CID 176759376) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole
PubChem CID176759376
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CNC1
InChIInChI=1S/C14H21F2N3O/c1-9(2)13(7-17-8-13)12-18-11(20-19-12)10-3-5-14(15,16)6-4-10/h9-10,17H,3-8H2,1-2H3
InChIKeyXSRRSDGJZQWEMQ-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole (CID 176759376) is 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole is CC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CNC1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is XSRRSDGJZQWEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-9(2)13(7-17-8-13)12-18-11(20-19-12)10-3-5-14(15,16)6-4-10/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole?
5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 285.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-3-(3-propan-2-ylazetidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 176759376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).