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

C19H21ClN4O3 — CID 19443806

IUPAC4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1noc(C)c1COc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-4-24-15(9-10-21-24)11-23(3)19(25)18-17(13(2)27-22-18)12-26-16-7-5-14(20)6-8-16/h5-10H,4,11-12H2,1-3H3
InChIKeyZPLLPKHGHRSISW-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.70
Rot. Bonds7

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

4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 19443806) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID19443806
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1noc(C)c1COc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-4-24-15(9-10-21-24)11-23(3)19(25)18-17(13(2)27-22-18)12-26-16-7-5-14(20)6-8-16/h5-10H,4,11-12H2,1-3H3
InChIKeyZPLLPKHGHRSISW-UHFFFAOYSA-N
XLogP3.70
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444409
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443817
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444121
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-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444119
2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19454239
3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
4-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443815
N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492397
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444513
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454365
4-[(4-chlorophenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443858

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 19443806) is 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is CCn1nccc1CN(C)C(=O)c1noc(C)c1COc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZPLLPKHGHRSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-4-24-15(9-10-21-24)11-23(3)19(25)18-17(13(2)27-22-18)12-26-16-7-5-14(20)6-8-16/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).