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

C17H16Cl2N4O2 — CID 3241041

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1
InChIInChI=1S/C17H16Cl2N4O2/c1-9-7-15(22-25-9)17(24)20-16-10(2)21-23(11(16)3)8-12-13(18)5-4-6-14(12)19/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyZFVCAPHYRPPHJQ-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.40
Rot. Bonds4

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

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3241041) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3241041
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1
InChIInChI=1S/C17H16Cl2N4O2/c1-9-7-15(22-25-9)17(24)20-16-10(2)21-23(11(16)3)8-12-13(18)5-4-6-14(12)19/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyZFVCAPHYRPPHJQ-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 3241041) is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZFVCAPHYRPPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-9-7-15(22-25-9)17(24)20-16-10(2)21-23(11(16)3)8-12-13(18)5-4-6-14(12)19/h4-7H,8H2,1-3H3,(H,20,24).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-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 N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3241041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).