3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide

C10H12BrN5O3 — CID 16765767

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C10H12BrN5O3/c1-18-3-2-12-9(17)10-14-8(15-19-10)6-16-5-7(11)4-13-16/h4-5H,2-3,6H2,1H3,(H,12,17)
InChIKeyGUQYCVPCRAKYMB-UHFFFAOYSA-N
MW330.14 g/mol
LogP0.45
Rot. Bonds6

About 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide

3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765767) has the molecular formula C10H12BrN5O3 and a molecular weight of 330.14 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765767
Molecular FormulaC10H12BrN5O3
Molecular Weight330.14 g/mol
Exact Mass329.01
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C10H12BrN5O3/c1-18-3-2-12-9(17)10-14-8(15-19-10)6-16-5-7(11)4-13-16/h4-5H,2-3,6H2,1H3,(H,12,17)
InChIKeyGUQYCVPCRAKYMB-UHFFFAOYSA-N
XLogP0.45
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide (CID 16765767) is 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GUQYCVPCRAKYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O3/c1-18-3-2-12-9(17)10-14-8(15-19-10)6-16-5-7(11)4-13-16/h4-5H,2-3,6H2,1H3,(H,12,17).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 330.14 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).