N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine

C19H25N5O — CID 58538793

IUPACN-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cc(-c2nc(-c3ccc(CN(C(C)C)C(C)C)cc3)no2)n[nH]1
InChIInChI=1S/C19H25N5O/c1-12(2)24(13(3)4)11-15-6-8-16(9-7-15)18-20-19(25-23-18)17-10-14(5)21-22-17/h6-10,12-13H,11H2,1-5H3,(H,21,22)
InChIKeyDIXQMZISGSJRBM-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.05
Rot. Bonds6

About N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine

N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 58538793) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
PubChem CID58538793
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cc(-c2nc(-c3ccc(CN(C(C)C)C(C)C)cc3)no2)n[nH]1
InChIInChI=1S/C19H25N5O/c1-12(2)24(13(3)4)11-15-6-8-16(9-7-15)18-20-19(25-23-18)17-10-14(5)21-22-17/h6-10,12-13H,11H2,1-5H3,(H,21,22)
InChIKeyDIXQMZISGSJRBM-UHFFFAOYSA-N
XLogP4.05
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
CID 94069253
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 154760139
N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 126837610
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
N-benzyl-N-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53004469
5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 143992830
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine (CID 58538793) is N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine is Cc1cc(-c2nc(-c3ccc(CN(C(C)C)C(C)C)cc3)no2)n[nH]1.
What is the InChIKey of N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is DIXQMZISGSJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12(2)24(13(3)4)11-15-6-8-16(9-7-15)18-20-19(25-23-18)17-10-14(5)21-22-17/h6-10,12-13H,11H2,1-5H3,(H,21,22).
What are the key properties of N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?
N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 339.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58538793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).