2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol

C20H19F2N3O2 — CID 135425206

IUPAC2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(NC2CCCCC2)o1
InChIInChI=1S/C20H19F2N3O2/c21-13-7-8-15(17(22)11-13)12-6-9-18(26)16(10-12)19-24-25-20(27-19)23-14-4-2-1-3-5-14/h6-11,14,26H,1-5H2,(H,23,25)
InChIKeyLQVRYQKQZNQBES-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.13
Rot. Bonds4

About 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol

2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol (PubChem CID 135425206) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol
PubChem CID135425206
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(NC2CCCCC2)o1
InChIInChI=1S/C20H19F2N3O2/c21-13-7-8-15(17(22)11-13)12-6-9-18(26)16(10-12)19-24-25-20(27-19)23-14-4-2-1-3-5-14/h6-11,14,26H,1-5H2,(H,23,25)
InChIKeyLQVRYQKQZNQBES-UHFFFAOYSA-N
XLogP5.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol?
The IUPAC name of 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol (CID 135425206) is 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol.
What is the SMILES notation for 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol?
The canonical SMILES for 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol is Oc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(NC2CCCCC2)o1.
What is the InChIKey of 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol?
The InChIKey is LQVRYQKQZNQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-13-7-8-15(17(22)11-13)12-6-9-18(26)16(10-12)19-24-25-20(27-19)23-14-4-2-1-3-5-14/h6-11,14,26H,1-5H2,(H,23,25).
What are the key properties of 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol?
2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol has a molecular weight of 371.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol is sourced from PubChem (CID 135425206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).