N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H14FN5O3 — CID 96549223

IUPACN-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1nc([C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1
InChIInChI=1S/C16H14FN5O3/c1-9-18-15(21-25-9)14(10-5-3-4-6-11(10)17)19-16(24)12-7-8-13(23)22(2)20-12/h3-8,14H,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyUNEIYKBKJVTQPJ-CQSZACIVSA-N
MW343.32 g/mol
LogP1.13
Rot. Bonds4

About N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 96549223) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID96549223
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC NameN-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1nc([C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1
InChIInChI=1S/C16H14FN5O3/c1-9-18-15(21-25-9)14(10-5-3-4-6-11(10)17)19-16(24)12-7-8-13(23)22(2)20-12/h3-8,14H,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyUNEIYKBKJVTQPJ-CQSZACIVSA-N
XLogP1.13
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 96549223) is N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1nc([C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1.
What is the InChIKey of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is UNEIYKBKJVTQPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-9-18-15(21-25-9)14(10-5-3-4-6-11(10)17)19-16(24)12-7-8-13(23)22(2)20-12/h3-8,14H,1-2H3,(H,19,24)/t14-/m1/s1.
What are the key properties of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 343.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 96549223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).