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

C15H12Cl2N4O2 — CID 3238132

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1
InChIInChI=1S/C15H12Cl2N4O2/c1-9-4-14(20-23-9)15(22)19-12-6-18-21(8-12)7-10-2-3-11(16)5-13(10)17/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyGFTNXPVXWMLQCP-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.79
Rot. Bonds4

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

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3238132) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3238132
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1
InChIInChI=1S/C15H12Cl2N4O2/c1-9-4-14(20-23-9)15(22)19-12-6-18-21(8-12)7-10-2-3-11(16)5-13(10)17/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyGFTNXPVXWMLQCP-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 3238132) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GFTNXPVXWMLQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-9-4-14(20-23-9)15(22)19-12-6-18-21(8-12)7-10-2-3-11(16)5-13(10)17/h2-6,8H,7H2,1H3,(H,19,22).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 351.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).