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

C14H8Cl2N2O2 — CID 106503322

IUPAC4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-3-1-2-8(6-9)13-17-14(20-18-13)11-7-10(19)4-5-12(11)16/h1-7,19H
InChIKeyMZUGRJHCPNYCSD-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.42
Rot. Bonds2

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

4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503322) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503322
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-3-1-2-8(6-9)13-17-14(20-18-13)11-7-10(19)4-5-12(11)16/h1-7,19H
InChIKeyMZUGRJHCPNYCSD-UHFFFAOYSA-N
XLogP4.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43152104
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 106503442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 106503322) is 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Cl)c(-c2nc(-c3cccc(Cl)c3)no2)c1.
What is the InChIKey of 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MZUGRJHCPNYCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-9-3-1-2-8(6-9)13-17-14(20-18-13)11-7-10(19)4-5-12(11)16/h1-7,19H.
What are the key properties of 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 307.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).