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

C21H18N4O2 — CID 135429397

IUPAC5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1ccc(-c2nc(-c3ncccc3-c3ccccc3)no2)c(O)c1
InChIInChI=1S/C21H18N4O2/c1-25(2)15-10-11-17(18(26)13-15)21-23-20(24-27-21)19-16(9-6-12-22-19)14-7-4-3-5-8-14/h3-13,26H,1-2H3
InChIKeyRFOPRJQVNLTJMB-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.24
Rot. Bonds4

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

5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135429397) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135429397
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1ccc(-c2nc(-c3ncccc3-c3ccccc3)no2)c(O)c1
InChIInChI=1S/C21H18N4O2/c1-25(2)15-10-11-17(18(26)13-15)21-23-20(24-27-21)19-16(9-6-12-22-19)14-7-4-3-5-8-14/h3-13,26H,1-2H3
InChIKeyRFOPRJQVNLTJMB-UHFFFAOYSA-N
XLogP4.24
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 135429397) is 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is CN(C)c1ccc(-c2nc(-c3ncccc3-c3ccccc3)no2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is RFOPRJQVNLTJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-25(2)15-10-11-17(18(26)13-15)21-23-20(24-27-21)19-16(9-6-12-22-19)14-7-4-3-5-8-14/h3-13,26H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 358.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[3-(3-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135429397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).