4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol

C15H10ClFN2O2 — CID 106503357

IUPAC4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(Cc3ccccc3F)no2)c1
InChIInChI=1S/C15H10ClFN2O2/c16-12-6-5-10(20)8-11(12)15-18-14(19-21-15)7-9-3-1-2-4-13(9)17/h1-6,8,20H,7H2
InChIKeySJBZGKRJPIZTLR-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.83
Rot. Bonds3

About 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol

4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503357) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503357
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(Cc3ccccc3F)no2)c1
InChIInChI=1S/C15H10ClFN2O2/c16-12-6-5-10(20)8-11(12)15-18-14(19-21-15)7-9-3-1-2-4-13(9)17/h1-6,8,20H,7H2
InChIKeySJBZGKRJPIZTLR-UHFFFAOYSA-N
XLogP3.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
2-chloro-6-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 107050642
4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503397
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63618388
3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63852117
3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827593
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
4-[[5-(2-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 81498942

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 106503357) is 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Cl)c(-c2nc(Cc3ccccc3F)no2)c1.
What is the InChIKey of 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SJBZGKRJPIZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-12-6-5-10(20)8-11(12)15-18-14(19-21-15)7-9-3-1-2-4-13(9)17/h1-6,8,20H,7H2.
What are the key properties of 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 304.71 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).