(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide

C16H25N5O2 — CID 95140902

IUPAC(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)N(CC)Cc1noc(CC(C)C)n1)n1cccn1
InChIInChI=1S/C16H25N5O2/c1-5-13(21-9-7-8-17-21)16(22)20(6-2)11-14-18-15(23-19-14)10-12(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m1/s1
InChIKeyJWIIXWJGRPRAET-CYBMUJFWSA-N
MW319.41 g/mol
LogP2.46
Rot. Bonds8

About (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide

(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 95140902) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID95140902
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)N(CC)Cc1noc(CC(C)C)n1)n1cccn1
InChIInChI=1S/C16H25N5O2/c1-5-13(21-9-7-8-17-21)16(22)20(6-2)11-14-18-15(23-19-14)10-12(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m1/s1
InChIKeyJWIIXWJGRPRAET-CYBMUJFWSA-N
XLogP2.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 95140902) is (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)N(CC)Cc1noc(CC(C)C)n1)n1cccn1.
What is the InChIKey of (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is JWIIXWJGRPRAET-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-5-13(21-9-7-8-17-21)16(22)20(6-2)11-14-18-15(23-19-14)10-12(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide?
(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 319.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 95140902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).