2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol

C16H21N7O2 — CID 142610838

IUPAC2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol
SMILESCCCCc1nc(NCc2c(-c3ncc(O)c(C)n3)cnn2C)no1
InChIInChI=1S/C16H21N7O2/c1-4-5-6-14-21-16(22-25-14)18-8-12-11(7-19-23(12)3)15-17-9-13(24)10(2)20-15/h7,9,24H,4-6,8H2,1-3H3,(H,18,22)
InChIKeySJPYPBRWZPLIEN-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.23
Rot. Bonds7

About 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol

2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol (PubChem CID 142610838) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol
PubChem CID142610838
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol
SMILESCCCCc1nc(NCc2c(-c3ncc(O)c(C)n3)cnn2C)no1
InChIInChI=1S/C16H21N7O2/c1-4-5-6-14-21-16(22-25-14)18-8-12-11(7-19-23(12)3)15-17-9-13(24)10(2)20-15/h7,9,24H,4-6,8H2,1-3H3,(H,18,22)
InChIKeySJPYPBRWZPLIEN-UHFFFAOYSA-N
XLogP2.23
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol with MolForge

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Related Compounds

butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate
CID 139312701
N-(5-undecyl-1,2,4-oxadiazol-3-yl)acetamide
CID 101166747
5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine
CID 131917456
N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide
CID 139312698
2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one
CID 122571805
[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 111536880
6-[5-(aminomethyl)-1-methylpyrazol-4-yl]-2-methylpyridin-3-ol
CID 139312726
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
N-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]-4-ethoxypyrimidin-2-amine
CID 175903037
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
2-(5-butoxy-1-methylpyrazol-4-yl)-4-methylpyrimidine
CID 171498141
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol?
The IUPAC name of 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol (CID 142610838) is 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol.
What is the SMILES notation for 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol?
The canonical SMILES for 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol is CCCCc1nc(NCc2c(-c3ncc(O)c(C)n3)cnn2C)no1.
What is the InChIKey of 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol?
The InChIKey is SJPYPBRWZPLIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-4-5-6-14-21-16(22-25-14)18-8-12-11(7-19-23(12)3)15-17-9-13(24)10(2)20-15/h7,9,24H,4-6,8H2,1-3H3,(H,18,22).
What are the key properties of 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol?
2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol has a molecular weight of 343.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(5-butyl-1,2,4-oxadiazol-3-yl)amino]methyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-ol is sourced from PubChem (CID 142610838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).