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

C17H16Cl2N4O2 — CID 19442252

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2c(C(=O)Nc3cccc(Cl)c3)noc2C)c(C)c1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-9-15(19)10(2)23(21-9)8-14-11(3)25-22-16(14)17(24)20-13-6-4-5-12(18)7-13/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyBKIJBADPZXVSNJ-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.40
Rot. Bonds4

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

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19442252) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19442252
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2c(C(=O)Nc3cccc(Cl)c3)noc2C)c(C)c1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-9-15(19)10(2)23(21-9)8-14-11(3)25-22-16(14)17(24)20-13-6-4-5-12(18)7-13/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyBKIJBADPZXVSNJ-UHFFFAOYSA-N
XLogP4.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3238132
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-methylisoxazole-3-carboxamide
CID 3237514
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 3237644
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3239448
N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3240004
N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3241041
N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3241605
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3241656
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308125
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 5308144
N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-5-isopropyl-isoxazole-3-carboxamide
CID 9550634
N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}(5-propylisoxazol-3-yl)carboxamide
CID 15988786

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19442252) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1nn(Cc2c(C(=O)Nc3cccc(Cl)c3)noc2C)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BKIJBADPZXVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-9-15(19)10(2)23(21-9)8-14-11(3)25-22-16(14)17(24)20-13-6-4-5-12(18)7-13/h4-7H,8H2,1-3H3,(H,20,24).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).