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

C16H15N3O2 — CID 3244230

IUPAC2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1ccc(-c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C16H15N3O2/c1-19(2)12-9-7-11(8-10-12)15-17-16(21-18-15)13-5-3-4-6-14(13)20/h3-10,20H,1-2H3
InChIKeyAOSHYMUQWGQTPI-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.18
Rot. Bonds3

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

2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 3244230) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID3244230
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1ccc(-c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C16H15N3O2/c1-19(2)12-9-7-11(8-10-12)15-17-16(21-18-15)13-5-3-4-6-14(13)20/h3-10,20H,1-2H3
InChIKeyAOSHYMUQWGQTPI-UHFFFAOYSA-N
XLogP3.18
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 779192
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 767655
Phenol, 2-[3-[2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]-
CID 5296010
2-(4-methoxyphenyl)-N-{4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 2201684
2-{2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]vinyl}phenol
CID 135460532
4-(5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-N,N-dimethylaniline
CID 15665937
(6E)-6-[3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one
CID 135419177
2-(3-Benzyl-1,2,4-oxadiazol-5-yl)phenol
CID 136182355
2-[3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 164616426
4-[3-(4-Anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028381
4-[3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028426

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 3244230) is 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol is CN(C)c1ccc(-c2noc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is AOSHYMUQWGQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(2)12-9-7-11(8-10-12)15-17-16(21-18-15)13-5-3-4-6-14(13)20/h3-10,20H,1-2H3.
What are the key properties of 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 281.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 3244230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).