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

C18H15N7O2 — CID 86263885

IUPACN-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccccc1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C18H15N7O2/c26-16(12-25-9-3-6-21-25)22-14-5-2-1-4-13(14)10-17-23-18(24-27-17)15-11-19-7-8-20-15/h1-9,11H,10,12H2,(H,22,26)
InChIKeyBJUCUNXULDHBNM-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.95
Rot. Bonds6

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

N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 86263885) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide
PubChem CID86263885
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccccc1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C18H15N7O2/c26-16(12-25-9-3-6-21-25)22-14-5-2-1-4-13(14)10-17-23-18(24-27-17)15-11-19-7-8-20-15/h1-9,11H,10,12H2,(H,22,26)
InChIKeyBJUCUNXULDHBNM-UHFFFAOYSA-N
XLogP1.95
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide (CID 86263885) is N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccccc1Cc1nc(-c2cnccn2)no1.
What is the InChIKey of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is BJUCUNXULDHBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c26-16(12-25-9-3-6-21-25)22-14-5-2-1-4-13(14)10-17-23-18(24-27-17)15-11-19-7-8-20-15/h1-9,11H,10,12H2,(H,22,26).
What are the key properties of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide?
N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 361.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 86263885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).