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

C9H9N3O2 — CID 107921953

IUPAC3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
SMILESCNc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C9H9N3O2/c1-10-9-11-8(12-14-9)6-3-2-4-7(13)5-6/h2-5,13H,1H3,(H,10,11,12)
InChIKeyUQFNMPXGSCYSHB-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.48
Rot. Bonds2

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

3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921953) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921953
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
SMILESCNc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C9H9N3O2/c1-10-9-11-8(12-14-9)6-3-2-4-7(13)5-6/h2-5,13H,1H3,(H,10,11,12)
InChIKeyUQFNMPXGSCYSHB-UHFFFAOYSA-N
XLogP1.48
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921186
3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62594651
3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921085
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
3-(3,5-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62595025
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol (CID 107921953) is 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol is CNc1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is UQFNMPXGSCYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-10-9-11-8(12-14-9)6-3-2-4-7(13)5-6/h2-5,13H,1H3,(H,10,11,12).
What are the key properties of 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 191.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).