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

C13H9ClN4O2 — CID 137012886

IUPAC4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1nccc(-c2noc(-c3cc(Cl)ccc3O)n2)n1
InChIInChI=1S/C13H9ClN4O2/c1-7-15-5-4-10(16-7)12-17-13(20-18-12)9-6-8(14)2-3-11(9)19/h2-6,19H,1H3
InChIKeyBSMBSAPECIFQRZ-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.86
Rot. Bonds2

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

4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137012886) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137012886
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1nccc(-c2noc(-c3cc(Cl)ccc3O)n2)n1
InChIInChI=1S/C13H9ClN4O2/c1-7-15-5-4-10(16-7)12-17-13(20-18-12)9-6-8(14)2-3-11(9)19/h2-6,19H,1H3
InChIKeyBSMBSAPECIFQRZ-UHFFFAOYSA-N
XLogP2.86
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886084
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928477
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 115531546
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369
4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 135860454
4-chloro-2-(2-chloropyrimidin-4-yl)phenol
CID 135743684
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137012886) is 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1nccc(-c2noc(-c3cc(Cl)ccc3O)n2)n1.
What is the InChIKey of 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BSMBSAPECIFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-7-15-5-4-10(16-7)12-17-13(20-18-12)9-6-8(14)2-3-11(9)19/h2-6,19H,1H3.
What are the key properties of 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 288.69 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137012886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).