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

C9H9N3O2 — CID 136889344

IUPAC4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
SMILESCNc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C9H9N3O2/c1-10-9-11-8(12-14-9)6-2-4-7(13)5-3-6/h2-5,13H,1H3,(H,10,11,12)
InChIKeyOJYDSLGWFHDHJA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.48
Rot. Bonds2

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

4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136889344) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136889344
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
SMILESCNc1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C9H9N3O2/c1-10-9-11-8(12-14-9)6-2-4-7(13)5-3-6/h2-5,13H,1H3,(H,10,11,12)
InChIKeyOJYDSLGWFHDHJA-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

3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62594651
3-(3,5-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62595025
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 103399678
4-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135973748
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
4-[5-(propan-2-ylamino)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136938627
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol (CID 136889344) is 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol is CNc1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is OJYDSLGWFHDHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-10-9-11-8(12-14-9)6-2-4-7(13)5-3-6/h2-5,13H,1H3,(H,10,11,12).
What are the key properties of 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol?
4-[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 4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136889344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).