3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

C17H27N5O2 — CID 50980404

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C17H27N5O2/c1-6-22(10-15-18-16(24-21-15)9-11(2)3)17(23)8-7-14-12(4)19-20-13(14)5/h11H,6-10H2,1-5H3,(H,19,20)
InChIKeyNMKJODGRSORZHH-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.59
Rot. Bonds8

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 50980404) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID50980404
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C17H27N5O2/c1-6-22(10-15-18-16(24-21-15)9-11(2)3)17(23)8-7-14-12(4)19-20-13(14)5/h11H,6-10H2,1-5H3,(H,19,20)
InChIKeyNMKJODGRSORZHH-UHFFFAOYSA-N
XLogP2.59
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 50980404) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is CCN(Cc1noc(CC(C)C)n1)C(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is NMKJODGRSORZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-6-22(10-15-18-16(24-21-15)9-11(2)3)17(23)8-7-14-12(4)19-20-13(14)5/h11H,6-10H2,1-5H3,(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 333.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 50980404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).