2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C19H24N6O2 — CID 118772977

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1cc(N)n(CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)n1
InChIInChI=1S/C19H24N6O2/c1-12-9-15(20)25(23-12)11-16(26)21-10-17-22-18(24-27-17)13-5-7-14(8-6-13)19(2,3)4/h5-9H,10-11,20H2,1-4H3,(H,21,26)
InChIKeyHRRVDUWEIMVJMI-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.44
Rot. Bonds5

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 118772977) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID118772977
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1cc(N)n(CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)n1
InChIInChI=1S/C19H24N6O2/c1-12-9-15(20)25(23-12)11-16(26)21-10-17-22-18(24-27-17)13-5-7-14(8-6-13)19(2,3)4/h5-9H,10-11,20H2,1-4H3,(H,21,26)
InChIKeyHRRVDUWEIMVJMI-UHFFFAOYSA-N
XLogP2.44
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
2-(4-tert-butylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6494855
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100699712
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
2-(4-chlorophenyl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 86958001
2-(4-tert-butylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132663051
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 17101446
2-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 124813833
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 118772977) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1cc(N)n(CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is HRRVDUWEIMVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-9-15(20)25(23-12)11-16(26)21-10-17-22-18(24-27-17)13-5-7-14(8-6-13)19(2,3)4/h5-9H,10-11,20H2,1-4H3,(H,21,26).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 118772977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).