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

C15H11ClN2O2 — CID 62505666

IUPAC3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(Cc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-1-3-10(7-12)8-14-17-15(18-20-14)11-4-2-6-13(19)9-11/h1-7,9,19H,8H2
InChIKeyFERQFVDRMQBCOB-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.69
Rot. Bonds3

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

3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 62505666) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID62505666
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(Cc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-1-3-10(7-12)8-14-17-15(18-20-14)11-4-2-6-13(19)9-11/h1-7,9,19H,8H2
InChIKeyFERQFVDRMQBCOB-UHFFFAOYSA-N
XLogP3.69
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345469
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzene-1,2-diol
CID 122189976
3-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 114016052
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845084
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-hydroxybenzoate
CID 9412685
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol (CID 62505666) is 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(Cc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is FERQFVDRMQBCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-5-1-3-10(7-12)8-14-17-15(18-20-14)11-4-2-6-13(19)9-11/h1-7,9,19H,8H2.
What are the key properties of 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 286.72 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 62505666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).