3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C11H13BrN4O2 — CID 4775912

IUPAC3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Cn2cc(Br)cn2)no1
InChIInChI=1S/C11H13BrN4O2/c1-7(5-16-6-9(12)4-13-16)11(17)14-10-3-8(2)18-15-10/h3-4,6-7H,5H2,1-2H3,(H,14,15,17)
InChIKeyXWLHYVGJARCFKD-UHFFFAOYSA-N
MW313.16 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 4775912) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID4775912
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Cn2cc(Br)cn2)no1
InChIInChI=1S/C11H13BrN4O2/c1-7(5-16-6-9(12)4-13-16)11(17)14-10-3-8(2)18-15-10/h3-4,6-7H,5H2,1-2H3,(H,14,15,17)
InChIKeyXWLHYVGJARCFKD-UHFFFAOYSA-N
XLogP2.22
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 4775912) is 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is XWLHYVGJARCFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-7(5-16-6-9(12)4-13-16)11(17)14-10-3-8(2)18-15-10/h3-4,6-7H,5H2,1-2H3,(H,14,15,17).
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 313.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 4775912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).