N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

C14H20N4O2 — CID 16877078

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)n2nc(C)c(C)c2C)no1
InChIInChI=1S/C14H20N4O2/c1-8(18-12(5)10(3)11(4)16-18)6-14(19)15-13-7-9(2)20-17-13/h7-8H,6H2,1-5H3,(H,15,17,19)
InChIKeyQGYJQNYLKFAVKK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.69
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (PubChem CID 16877078) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
PubChem CID16877078
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)n2nc(C)c(C)c2C)no1
InChIInChI=1S/C14H20N4O2/c1-8(18-12(5)10(3)11(4)16-18)6-14(19)15-13-7-9(2)20-17-13/h7-8H,6H2,1-5H3,(H,15,17,19)
InChIKeyQGYJQNYLKFAVKK-UHFFFAOYSA-N
XLogP2.69
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (CID 16877078) is N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is Cc1cc(NC(=O)CC(C)n2nc(C)c(C)c2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The InChIKey is QGYJQNYLKFAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8(18-12(5)10(3)11(4)16-18)6-14(19)15-13-7-9(2)20-17-13/h7-8H,6H2,1-5H3,(H,15,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide has a molecular weight of 276.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 16877078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).