3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C18H18Cl2N4O2 — CID 1225522

IUPAC3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)n1
InChIInChI=1S/C18H18Cl2N4O2/c1-4-24-9-12(10(2)22-24)8-21-18(25)15-11(3)26-23-17(15)16-13(19)6-5-7-14(16)20/h5-7,9H,4,8H2,1-3H3,(H,21,25)
InChIKeyDONPRZLDGMTAPB-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.41
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1225522) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1225522
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)n1
InChIInChI=1S/C18H18Cl2N4O2/c1-4-24-9-12(10(2)22-24)8-21-18(25)15-11(3)26-23-17(15)16-13(19)6-5-7-14(16)20/h5-7,9H,4,8H2,1-3H3,(H,21,25)
InChIKeyDONPRZLDGMTAPB-UHFFFAOYSA-N
XLogP4.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 674657
3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241026
N4-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2818764
3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid N'-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)-hydrazide
CID 540178
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
1-[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 25204738
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307340
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 1225522) is 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCn1cc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DONPRZLDGMTAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-4-24-9-12(10(2)22-24)8-21-18(25)15-11(3)26-23-17(15)16-13(19)6-5-7-14(16)20/h5-7,9H,4,8H2,1-3H3,(H,21,25).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1225522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).