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

C16H15N3O2 — CID 43678229

IUPAC3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
SMILESCc1noc(-c2ccccc2NCc2cccc(O)c2)n1
InChIInChI=1S/C16H15N3O2/c1-11-18-16(21-19-11)14-7-2-3-8-15(14)17-10-12-5-4-6-13(20)9-12/h2-9,17,20H,10H2,1H3
InChIKeyHKGFOUFRKOSTSS-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.36
Rot. Bonds4

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

3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol (PubChem CID 43678229) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
PubChem CID43678229
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
SMILESCc1noc(-c2ccccc2NCc2cccc(O)c2)n1
InChIInChI=1S/C16H15N3O2/c1-11-18-16(21-19-11)14-7-2-3-8-15(14)17-10-12-5-4-6-13(20)9-12/h2-9,17,20H,10H2,1H3
InChIKeyHKGFOUFRKOSTSS-UHFFFAOYSA-N
XLogP3.36
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol?
The IUPAC name of 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol (CID 43678229) is 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol.
What is the SMILES notation for 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol?
The canonical SMILES for 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol is Cc1noc(-c2ccccc2NCc2cccc(O)c2)n1.
What is the InChIKey of 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol?
The InChIKey is HKGFOUFRKOSTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-18-16(21-19-11)14-7-2-3-8-15(14)17-10-12-5-4-6-13(20)9-12/h2-9,17,20H,10H2,1H3.
What are the key properties of 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol?
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol is sourced from PubChem (CID 43678229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).