N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C15H11ClFN5O2 — CID 52906390

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cnccn2)o1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFN5O2/c16-11-5-10(17)2-1-9(11)7-20-13(23)6-14-21-22-15(24-14)12-8-18-3-4-19-12/h1-5,8H,6-7H2,(H,20,23)
InChIKeyMTCGRCGIBIEFJR-UHFFFAOYSA-N
MW347.74 g/mol
LogP2.18
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 52906390) has the molecular formula C15H11ClFN5O2 and a molecular weight of 347.74 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID52906390
Molecular FormulaC15H11ClFN5O2
Molecular Weight347.74 g/mol
Exact Mass347.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cnccn2)o1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFN5O2/c16-11-5-10(17)2-1-9(11)7-20-13(23)6-14-21-22-15(24-14)12-8-18-3-4-19-12/h1-5,8H,6-7H2,(H,20,23)
InChIKeyMTCGRCGIBIEFJR-UHFFFAOYSA-N
XLogP2.18
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 52906390) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2cnccn2)o1)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is MTCGRCGIBIEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O2/c16-11-5-10(17)2-1-9(11)7-20-13(23)6-14-21-22-15(24-14)12-8-18-3-4-19-12/h1-5,8H,6-7H2,(H,20,23).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 347.74 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 52906390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).