4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide

C14H11BrN4O2 — CID 35323499

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C14H11BrN4O2/c15-12-7-16-19(9-12)8-10-1-3-11(4-2-10)14(20)17-13-5-6-21-18-13/h1-7,9H,8H2,(H,17,18,20)
InChIKeyQXVBOWAIKKNMDC-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.93
Rot. Bonds4

About 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide

4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 35323499) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
PubChem CID35323499
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C14H11BrN4O2/c15-12-7-16-19(9-12)8-10-1-3-11(4-2-10)14(20)17-13-5-6-21-18-13/h1-7,9H,8H2,(H,17,18,20)
InChIKeyQXVBOWAIKKNMDC-UHFFFAOYSA-N
XLogP2.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloropyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323173
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637
4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
CID 35323397
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
CID 95756450
methyl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]benzoate
CID 5016743
4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 3555189
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-cyanoacetamide
CID 168521847
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
CID 35277892
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35323449
1-[(4-nitrophenyl)methyl]-N-(1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8698035
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide (CID 35323499) is 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide is O=C(Nc1ccon1)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is QXVBOWAIKKNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-12-7-16-19(9-12)8-10-1-3-11(4-2-10)14(20)17-13-5-6-21-18-13/h1-7,9H,8H2,(H,17,18,20).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 347.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 35323499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).