N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C15H12F3N5O2 — CID 100675934

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H12F3N5O2/c1-8-11(7-20-22-8)6-19-13(24)10-4-2-9(3-5-10)12-21-14(25-23-12)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)(H,20,22)
InChIKeyNUHHSMFNGBPMKP-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.72
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 100675934) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID100675934
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H12F3N5O2/c1-8-11(7-20-22-8)6-19-13(24)10-4-2-9(3-5-10)12-21-14(25-23-12)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)(H,20,22)
InChIKeyNUHHSMFNGBPMKP-UHFFFAOYSA-N
XLogP2.72
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 100675934) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is Cc1[nH]ncc1CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is NUHHSMFNGBPMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-8-11(7-20-22-8)6-19-13(24)10-4-2-9(3-5-10)12-21-14(25-23-12)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)(H,20,22).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 351.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 100675934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).