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

C24H23ClN4O3 — CID 19443661

IUPAC4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1noc(C)c1COc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O3/c1-15-21(16(2)29(27-15)19-7-5-4-6-8-19)13-26-24(30)23-22(17(3)32-28-23)14-31-20-11-9-18(25)10-12-20/h4-12H,13-14H2,1-3H3,(H,26,30)
InChIKeyVWIACXNWUNBUJB-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.95
Rot. Bonds7

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

4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443661) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443661
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1noc(C)c1COc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O3/c1-15-21(16(2)29(27-15)19-7-5-4-6-8-19)13-26-24(30)23-22(17(3)32-28-23)14-31-20-11-9-18(25)10-12-20/h4-12H,13-14H2,1-3H3,(H,26,30)
InChIKeyVWIACXNWUNBUJB-UHFFFAOYSA-N
XLogP4.95
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(4-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488545
4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443791
N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
4-[(4-chlorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19443664
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443591
5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19282463
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
4-[(4-chlorophenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443858
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19443661) is 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1noc(C)c1COc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VWIACXNWUNBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-15-21(16(2)29(27-15)19-7-5-4-6-8-19)13-26-24(30)23-22(17(3)32-28-23)14-31-20-11-9-18(25)10-12-20/h4-12H,13-14H2,1-3H3,(H,26,30).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).