2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C13H21N5O2 — CID 95551075

IUPAC2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC1=NN(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)CC1
InChIInChI=1S/C13H21N5O2/c1-8(2)12-15-13(20-17-12)10(4)14-11(19)7-18-6-5-9(3)16-18/h8,10H,5-7H2,1-4H3,(H,14,19)/t10-/m0/s1
InChIKeyJKXPEXDUXLGAMM-JTQLQIEISA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds5

About 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 95551075) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID95551075
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC1=NN(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)CC1
InChIInChI=1S/C13H21N5O2/c1-8(2)12-15-13(20-17-12)10(4)14-11(19)7-18-6-5-9(3)16-18/h8,10H,5-7H2,1-4H3,(H,14,19)/t10-/m0/s1
InChIKeyJKXPEXDUXLGAMM-JTQLQIEISA-N
XLogP1.45
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 95551075) is 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is CC1=NN(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)CC1.
What is the InChIKey of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is JKXPEXDUXLGAMM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(2)12-15-13(20-17-12)10(4)14-11(19)7-18-6-5-9(3)16-18/h8,10H,5-7H2,1-4H3,(H,14,19)/t10-/m0/s1.
What are the key properties of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 95551075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).