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

C20H23ClN4O3 — CID 19444421

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1noc(C)c1COc1cc(C)cc(C)c1
InChIInChI=1S/C20H23ClN4O3/c1-5-25-18(17(21)9-23-25)10-22-20(26)19-16(14(4)28-24-19)11-27-15-7-12(2)6-13(3)8-15/h6-9H,5,10-11H2,1-4H3,(H,22,26)
InChIKeyBAYDEIYAOYXYNU-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.98
Rot. Bonds7

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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444421) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19444421
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1noc(C)c1COc1cc(C)cc(C)c1
InChIInChI=1S/C20H23ClN4O3/c1-5-25-18(17(21)9-23-25)10-22-20(26)19-16(14(4)28-24-19)11-27-15-7-12(2)6-13(3)8-15/h6-9H,5,10-11H2,1-4H3,(H,22,26)
InChIKeyBAYDEIYAOYXYNU-UHFFFAOYSA-N
XLogP3.98
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444409
4-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444273
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444865
N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444229
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444413
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444121
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445325
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-[(4-chlorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443817
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444351
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444402

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444421) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1noc(C)c1COc1cc(C)cc(C)c1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BAYDEIYAOYXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-5-25-18(17(21)9-23-25)10-22-20(26)19-16(14(4)28-24-19)11-27-15-7-12(2)6-13(3)8-15/h6-9H,5,10-11H2,1-4H3,(H,22,26).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).