N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C16H15Cl2N5O2 — CID 56805645

IUPACN-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cnn(-c3ccc(Cl)cc3Cl)c2)n1
InChIInChI=1S/C16H15Cl2N5O2/c1-9(24)21-16(2,3)15-20-14(25-22-15)10-7-19-23(8-10)13-5-4-11(17)6-12(13)18/h4-8H,1-3H3,(H,21,24)
InChIKeyGPRNJRAPDAZPGZ-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.60
Rot. Bonds4

About N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 56805645) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID56805645
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC NameN-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cnn(-c3ccc(Cl)cc3Cl)c2)n1
InChIInChI=1S/C16H15Cl2N5O2/c1-9(24)21-16(2,3)15-20-14(25-22-15)10-7-19-23(8-10)13-5-4-11(17)6-12(13)18/h4-8H,1-3H3,(H,21,24)
InChIKeyGPRNJRAPDAZPGZ-UHFFFAOYSA-N
XLogP3.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 56805645) is N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2cnn(-c3ccc(Cl)cc3Cl)c2)n1.
What is the InChIKey of N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is GPRNJRAPDAZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-9(24)21-16(2,3)15-20-14(25-22-15)10-7-19-23(8-10)13-5-4-11(17)6-12(13)18/h4-8H,1-3H3,(H,21,24).
What are the key properties of N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 56805645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).