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

C15H11ClN2O2 — CID 80740466

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H11ClN2O2/c16-12-7-3-2-6-11(12)15-17-14(20-18-15)9-10-5-1-4-8-13(10)19/h1-8,19H,9H2
InChIKeyWNQUXNSZPCMPGC-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.69
Rot. Bonds3

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

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 80740466) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID80740466
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H11ClN2O2/c16-12-7-3-2-6-11(12)15-17-14(20-18-15)9-10-5-1-4-8-13(10)19/h1-8,19H,9H2
InChIKeyWNQUXNSZPCMPGC-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-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63346050
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 55201059
2,4-ditert-butyl-6-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135981466
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 137002934
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 80740466) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccccc1Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is WNQUXNSZPCMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-7-3-2-6-11(12)15-17-14(20-18-15)9-10-5-1-4-8-13(10)19/h1-8,19H,9H2.
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]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 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 80740466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).