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

C15H12N2O3 — CID 137228616

IUPAC4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccccc1-c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H12N2O3/c1-19-13-5-3-2-4-12(13)15-17-16-14(20-15)10-6-8-11(18)9-7-10/h2-9,18H,1H3
InChIKeyPSPNFYYRHSBMDU-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.12
Rot. Bonds3

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

4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 137228616) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID137228616
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccccc1-c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C15H12N2O3/c1-19-13-5-3-2-4-12(13)15-17-16-14(20-15)10-6-8-11(18)9-7-10/h2-9,18H,1H3
InChIKeyPSPNFYYRHSBMDU-UHFFFAOYSA-N
XLogP3.12
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 137228616) is 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is COc1ccccc1-c1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is PSPNFYYRHSBMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-13-5-3-2-4-12(13)15-17-16-14(20-15)10-6-8-11(18)9-7-10/h2-9,18H,1H3.
What are the key properties of 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 137228616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).