N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H23N5O2 — CID 46987097

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC(C)n1nccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C19H23N5O2/c1-4-14(3)24-16(10-11-20-24)21-17(25)8-9-18-22-19(23-26-18)15-7-5-6-13(2)12-15/h5-7,10-12,14H,4,8-9H2,1-3H3,(H,21,25)
InChIKeyFWNIAJILVJBUTE-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.78
Rot. Bonds7

About N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46987097) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46987097
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC(C)n1nccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C19H23N5O2/c1-4-14(3)24-16(10-11-20-24)21-17(25)8-9-18-22-19(23-26-18)15-7-5-6-13(2)12-15/h5-7,10-12,14H,4,8-9H2,1-3H3,(H,21,25)
InChIKeyFWNIAJILVJBUTE-UHFFFAOYSA-N
XLogP3.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46987097) is N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCC(C)n1nccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FWNIAJILVJBUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-14(3)24-16(10-11-20-24)21-17(25)8-9-18-22-19(23-26-18)15-7-5-6-13(2)12-15/h5-7,10-12,14H,4,8-9H2,1-3H3,(H,21,25).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 353.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46987097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).