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

C20H21N3O3 — CID 155522033

IUPAC4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)C1
InChIInChI=1S/C20H21N3O3/c1-23-12-2-3-18(13-23)25-17-10-6-14(7-11-17)19-21-20(26-22-19)15-4-8-16(24)9-5-15/h4-11,18,24H,2-3,12-13H2,1H3
InChIKeyLAOXNVXANWTNDU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.58
Rot. Bonds4

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

4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 155522033) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID155522033
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)C1
InChIInChI=1S/C20H21N3O3/c1-23-12-2-3-18(13-23)25-17-10-6-14(7-11-17)19-21-20(26-22-19)15-4-8-16(24)9-5-15/h4-11,18,24H,2-3,12-13H2,1H3
InChIKeyLAOXNVXANWTNDU-UHFFFAOYSA-N
XLogP3.58
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 155522033) is 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol is CN1CCCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)C1.
What is the InChIKey of 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is LAOXNVXANWTNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23-12-2-3-18(13-23)25-17-10-6-14(7-11-17)19-21-20(26-22-19)15-4-8-16(24)9-5-15/h4-11,18,24H,2-3,12-13H2,1H3.
What are the key properties of 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 351.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 155522033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).