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

C13H10N4O2 — CID 115531546

IUPAC3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1nccc(-c2noc(-c3cccc(O)c3)n2)n1
InChIInChI=1S/C13H10N4O2/c1-8-14-6-5-11(15-8)12-16-13(19-17-12)9-3-2-4-10(18)7-9/h2-7,18H,1H3
InChIKeyXFBXHCCZXURYAP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.21
Rot. Bonds2

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

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 115531546) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID115531546
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1nccc(-c2noc(-c3cccc(O)c3)n2)n1
InChIInChI=1S/C13H10N4O2/c1-8-14-6-5-11(15-8)12-16-13(19-17-12)9-3-2-4-10(18)7-9/h2-7,18H,1H3
InChIKeyXFBXHCCZXURYAP-UHFFFAOYSA-N
XLogP2.21
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928477
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040
4-iodo-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886084
4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137012886
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845762
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845259
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 115531546) is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1nccc(-c2noc(-c3cccc(O)c3)n2)n1.
What is the InChIKey of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XFBXHCCZXURYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-14-6-5-11(15-8)12-16-13(19-17-12)9-3-2-4-10(18)7-9/h2-7,18H,1H3.
What are the key properties of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 254.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 115531546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).