N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide

C19H15N5O2 — CID 50954392

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H15N5O2/c25-18(15-8-4-9-16(12-15)24-11-5-10-21-24)20-13-17-22-23-19(26-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,20,25)
InChIKeyBRNZBBFLLSVDEW-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.85
Rot. Bonds5

About N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 50954392) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID50954392
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H15N5O2/c25-18(15-8-4-9-16(12-15)24-11-5-10-21-24)20-13-17-22-23-19(26-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,20,25)
InChIKeyBRNZBBFLLSVDEW-UHFFFAOYSA-N
XLogP2.85
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900
3-phenyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320848
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
CID 163319479
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70725146
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide
CID 92568978

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 50954392) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide is O=C(NCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is BRNZBBFLLSVDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18(15-8-4-9-16(12-15)24-11-5-10-21-24)20-13-17-22-23-19(26-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,20,25).
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 345.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 50954392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).