4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol

C20H19BrN2O2 — CID 174552789

IUPAC4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc(C2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C20H19BrN2O2/c21-15-9-10-17(24)16(13-15)18-22-19(23-25-18)20(11-5-2-6-12-20)14-7-3-1-4-8-14/h1,3-4,7-10,13,24H,2,5-6,11-12H2
InChIKeyQOJYZBKTWXKKIA-UHFFFAOYSA-N
MW399.29 g/mol
LogP5.45
Rot. Bonds3

About 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol

4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 174552789) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID174552789
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc(C2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C20H19BrN2O2/c21-15-9-10-17(24)16(13-15)18-22-19(23-25-18)20(11-5-2-6-12-20)14-7-3-1-4-8-14/h1,3-4,7-10,13,24H,2,5-6,11-12H2
InChIKeyQOJYZBKTWXKKIA-UHFFFAOYSA-N
XLogP5.45
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352515
[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 55181346
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 55243061
4-bromo-2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885770
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63080018
4-bromo-2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885767
4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
CID 135429377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (CID 174552789) is 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Br)cc1-c1nc(C2(c3ccccc3)CCCCC2)no1.
What is the InChIKey of 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QOJYZBKTWXKKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c21-15-9-10-17(24)16(13-15)18-22-19(23-25-18)20(11-5-2-6-12-20)14-7-3-1-4-8-14/h1,3-4,7-10,13,24H,2,5-6,11-12H2.
What are the key properties of 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 399.29 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 174552789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).