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

C20H24N4O3 — CID 19492397

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ccc(CN(C)C(=O)c2noc(C)c2COc2ccc(C)cc2)n1
InChIInChI=1S/C20H24N4O3/c1-5-24-11-10-16(21-24)12-23(4)20(25)19-18(15(3)27-22-19)13-26-17-8-6-14(2)7-9-17/h6-11H,5,12-13H2,1-4H3
InChIKeyZXHICQZCFWXYNY-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.36
Rot. Bonds7

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

N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19492397) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19492397
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ccc(CN(C)C(=O)c2noc(C)c2COc2ccc(C)cc2)n1
InChIInChI=1S/C20H24N4O3/c1-5-24-11-10-16(21-24)12-23(4)20(25)19-18(15(3)27-22-19)13-26-17-8-6-14(2)7-9-17/h6-11H,5,12-13H2,1-4H3
InChIKeyZXHICQZCFWXYNY-UHFFFAOYSA-N
XLogP3.36
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443791
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-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488120
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443817
N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
3-[(4-ethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449856
5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 19492461
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488212
1-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19279036
1-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278822

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19492397) is N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CCn1ccc(CN(C)C(=O)c2noc(C)c2COc2ccc(C)cc2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZXHICQZCFWXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-24-11-10-16(21-24)12-23(4)20(25)19-18(15(3)27-22-19)13-26-17-8-6-14(2)7-9-17/h6-11H,5,12-13H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).