2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol

C15H10ClFN2O2 — CID 137011336

IUPAC2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc(Cc2cccc(Cl)c2)no1
InChIInChI=1S/C15H10ClFN2O2/c16-10-3-1-2-9(6-10)7-14-18-15(21-19-14)12-8-11(17)4-5-13(12)20/h1-6,8,20H,7H2
InChIKeyOMHRHQZGNGKFAM-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.83
Rot. Bonds3

About 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol

2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol (PubChem CID 137011336) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol
PubChem CID137011336
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc(Cc2cccc(Cl)c2)no1
InChIInChI=1S/C15H10ClFN2O2/c16-10-3-1-2-9(6-10)7-14-18-15(21-19-14)12-8-11(17)4-5-13(12)20/h1-6,8,20H,7H2
InChIKeyOMHRHQZGNGKFAM-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

2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 43329960
4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011359
4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011370
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
2-amino-5-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 60837583
3-chloro-4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61399115
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011382
4-bromo-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136905965
2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 43152214
4-fluoro-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011417
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol (CID 137011336) is 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol is Oc1ccc(F)cc1-c1nc(Cc2cccc(Cl)c2)no1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The InChIKey is OMHRHQZGNGKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-10-3-1-2-9(6-10)7-14-18-15(21-19-14)12-8-11(17)4-5-13(12)20/h1-6,8,20H,7H2.
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol 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 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol is sourced from PubChem (CID 137011336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).