N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine

C13H10ClN5O — CID 110456360

IUPACN-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccccc1CNc1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H10ClN5O/c14-10-4-2-1-3-9(10)7-17-13-19-18-12(20-13)11-8-15-5-6-16-11/h1-6,8H,7H2,(H,17,19)
InChIKeyYAIFMTFNVWZQKJ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.79
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine

N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110456360) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID110456360
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccccc1CNc1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H10ClN5O/c14-10-4-2-1-3-9(10)7-17-13-19-18-12(20-13)11-8-15-5-6-16-11/h1-6,8H,7H2,(H,17,19)
InChIKeyYAIFMTFNVWZQKJ-UHFFFAOYSA-N
XLogP2.79
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine (CID 110456360) is N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine is Clc1ccccc1CNc1nnc(-c2cnccn2)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is YAIFMTFNVWZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-4-2-1-3-9(10)7-17-13-19-18-12(20-13)11-8-15-5-6-16-11/h1-6,8H,7H2,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine?
N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 287.71 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-pyrazin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).