4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H19BrN4O2 — CID 56564869

IUPAC4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCc2coc(-c3ccccc3)n2)c1Br
InChIInChI=1S/C18H19BrN4O2/c1-11(2)15-14(19)16(23-22-15)17(24)20-9-8-13-10-25-18(21-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyJSWGNXWVVLXSEM-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.92
Rot. Bonds6

About 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564869) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564869
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCc2coc(-c3ccccc3)n2)c1Br
InChIInChI=1S/C18H19BrN4O2/c1-11(2)15-14(19)16(23-22-15)17(24)20-9-8-13-10-25-18(21-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyJSWGNXWVVLXSEM-UHFFFAOYSA-N
XLogP3.92
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
4-bromo-N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563429
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
4-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethylcarbamoyl]phenoxy]benzamide
CID 56548513
N-[2-(2-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441204
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000027
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 146127190
(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95294009
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564869) is 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCCc2coc(-c3ccccc3)n2)c1Br.
What is the InChIKey of 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JSWGNXWVVLXSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-11(2)15-14(19)16(23-22-15)17(24)20-9-8-13-10-25-18(21-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).