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

C13H10N4O2 — CID 107921047

IUPAC3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1cccnc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C13H10N4O2/c14-10-5-2-6-15-11(10)13-16-12(17-19-13)8-3-1-4-9(18)7-8/h1-7,18H,14H2
InChIKeyXNTMYMGNNCPNKJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.09
Rot. Bonds2

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

3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921047) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921047
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1cccnc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C13H10N4O2/c14-10-5-2-6-15-11(10)13-16-12(17-19-13)8-3-1-4-9(18)7-8/h1-7,18H,14H2
InChIKeyXNTMYMGNNCPNKJ-UHFFFAOYSA-N
XLogP2.09
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329336
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447849
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 136984510
5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104743093

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921047) is 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is Nc1cccnc1-c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is XNTMYMGNNCPNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-10-5-2-6-15-11(10)13-16-12(17-19-13)8-3-1-4-9(18)7-8/h1-7,18H,14H2.
What are the key properties of 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 254.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).