5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

C21H18N4O2 — CID 135429452

IUPAC5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccnc1-c1noc(-c2ccc(NCc3ccccc3)cc2O)n1
InChIInChI=1S/C21H18N4O2/c1-14-6-5-11-22-19(14)20-24-21(27-25-20)17-10-9-16(12-18(17)26)23-13-15-7-3-2-4-8-15/h2-12,23,26H,13H2,1H3
InChIKeyAPVBMSJOSUJDCM-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.42
Rot. Bonds5

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

5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135429452) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135429452
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccnc1-c1noc(-c2ccc(NCc3ccccc3)cc2O)n1
InChIInChI=1S/C21H18N4O2/c1-14-6-5-11-22-19(14)20-24-21(27-25-20)17-10-9-16(12-18(17)26)23-13-15-7-3-2-4-8-15/h2-12,23,26H,13H2,1H3
InChIKeyAPVBMSJOSUJDCM-UHFFFAOYSA-N
XLogP4.42
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 135429452) is 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cccnc1-c1noc(-c2ccc(NCc3ccccc3)cc2O)n1.
What is the InChIKey of 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is APVBMSJOSUJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-6-5-11-22-19(14)20-24-21(27-25-20)17-10-9-16(12-18(17)26)23-13-15-7-3-2-4-8-15/h2-12,23,26H,13H2,1H3.
What are the key properties of 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 358.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135429452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).