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

C15H12Cl2N4O2 — CID 19330947

IUPAC5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n1
InChIInChI=1S/C15H12Cl2N4O2/c1-21-5-4-10(19-21)8-18-15(22)13-7-14(23-20-13)11-3-2-9(16)6-12(11)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyGKTWRONNJNVNEN-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.31
Rot. Bonds4

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

5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19330947) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19330947
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n1
InChIInChI=1S/C15H12Cl2N4O2/c1-21-5-4-10(19-21)8-18-15(22)13-7-14(23-20-13)11-3-2-9(16)6-12(11)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyGKTWRONNJNVNEN-UHFFFAOYSA-N
XLogP3.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 1093842
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19581349
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19330175
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19329963
5-(2,4-dichlorophenyl)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 19282655
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19335620
5-(2,4-dichlorophenyl)-N-[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 19398264
5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19286635
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 19405914

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 19330947) is 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cn1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GKTWRONNJNVNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-21-5-4-10(19-21)8-18-15(22)13-7-14(23-20-13)11-3-2-9(16)6-12(11)17/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 351.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19330947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).