2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

C13H15N3O3 — CID 136712766

IUPAC2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1(c2noc(-c3cccc(N)c3O)n2)CCCO1
InChIInChI=1S/C13H15N3O3/c1-13(6-3-7-18-13)12-15-11(19-16-12)8-4-2-5-9(14)10(8)17/h2,4-5,17H,3,6-7,14H2,1H3
InChIKeyMKGLNBLZQAZBGA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136712766) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136712766
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1(c2noc(-c3cccc(N)c3O)n2)CCCO1
InChIInChI=1S/C13H15N3O3/c1-13(6-3-7-18-13)12-15-11(19-16-12)8-4-2-5-9(14)10(8)17/h2,4-5,17H,3,6-7,14H2,1H3
InChIKeyMKGLNBLZQAZBGA-UHFFFAOYSA-N
XLogP2.05
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743065
2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 80691509
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116701543
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324977
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136712766) is 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is CC1(c2noc(-c3cccc(N)c3O)n2)CCCO1.
What is the InChIKey of 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MKGLNBLZQAZBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(6-3-7-18-13)12-15-11(19-16-12)8-4-2-5-9(14)10(8)17/h2,4-5,17H,3,6-7,14H2,1H3.
What are the key properties of 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 261.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136712766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).