N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide

C19H21BrN4O3 — CID 19488120

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1noc(C)c1COc1ccccc1
InChIInChI=1S/C19H21BrN4O3/c1-4-24-17(16(20)10-21-24)11-23(3)19(25)18-15(13(2)27-22-18)12-26-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3
InChIKeyNOWRGGBEHRIZIL-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.81
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 19488120) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID19488120
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1noc(C)c1COc1ccccc1
InChIInChI=1S/C19H21BrN4O3/c1-4-24-17(16(20)10-21-24)11-23(3)19(25)18-15(13(2)27-22-18)12-26-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3
InChIKeyNOWRGGBEHRIZIL-UHFFFAOYSA-N
XLogP3.81
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443817
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444119
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19490317
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444121
4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443806
4-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444409
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444513
N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492397
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444865
4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19490490
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491233

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide (CID 19488120) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)c1noc(C)c1COc1ccccc1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NOWRGGBEHRIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c1-4-24-17(16(20)10-21-24)11-23(3)19(25)18-15(13(2)27-22-18)12-26-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 433.31 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).