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

C20H22N4O3 — CID 3080236

IUPAC2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1O
InChIInChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-17(18)25)20-22-21-19(27-20)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3
InChIKeyNYHALSOJLDPMBC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.77
Rot. Bonds5

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

2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 3080236) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID3080236
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1O
InChIInChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-17(18)25)20-22-21-19(27-20)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3
InChIKeyNYHALSOJLDPMBC-UHFFFAOYSA-N
XLogP2.77
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol (CID 3080236) is 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol is COc1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is NYHALSOJLDPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-17(18)25)20-22-21-19(27-20)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3.
What are the key properties of 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol?
2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 366.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 3080236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).