5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine

C26H26N4O2 — CID 66863905

IUPAC5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)o1
InChIInChI=1S/C26H26N4O2/c27-25-30-29-24(32-25)19-7-9-20(10-8-19)26(15-3-1-4-16-26)21-11-13-23(14-12-21)31-18-22-6-2-5-17-28-22/h2,5-14,17H,1,3-4,15-16,18H2,(H2,27,30)
InChIKeyJOYKWKWSAXXSDC-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.54
Rot. Bonds6

About 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine

5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 66863905) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID66863905
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)o1
InChIInChI=1S/C26H26N4O2/c27-25-30-29-24(32-25)19-7-9-20(10-8-19)26(15-3-1-4-16-26)21-11-13-23(14-12-21)31-18-22-6-2-5-17-28-22/h2,5-14,17H,1,3-4,15-16,18H2,(H2,27,30)
InChIKeyJOYKWKWSAXXSDC-UHFFFAOYSA-N
XLogP5.54
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine (CID 66863905) is 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)o1.
What is the InChIKey of 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JOYKWKWSAXXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c27-25-30-29-24(32-25)19-7-9-20(10-8-19)26(15-3-1-4-16-26)21-11-13-23(14-12-21)31-18-22-6-2-5-17-28-22/h2,5-14,17H,1,3-4,15-16,18H2,(H2,27,30).
What are the key properties of 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine?
5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 426.52 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66863905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).