N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

C15H10Cl3N5O2 — CID 67400361

IUPACN-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C15H10Cl3N5O2/c1-6-9(5-25-23-6)15(24)22-11-4-20-13(14(19)21-11)8-2-7(16)3-10(17)12(8)18/h2-5H,1H3,(H3,19,21,22,24)
InChIKeyUBQLVMPNILRISI-UHFFFAOYSA-N
MW398.64 g/mol
LogP4.23
Rot. Bonds3

About N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 67400361) has the molecular formula C15H10Cl3N5O2 and a molecular weight of 398.64 g/mol. Its IUPAC name is N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID67400361
Molecular FormulaC15H10Cl3N5O2
Molecular Weight398.64 g/mol
Exact Mass396.99
IUPAC NameN-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C15H10Cl3N5O2/c1-6-9(5-25-23-6)15(24)22-11-4-20-13(14(19)21-11)8-2-7(16)3-10(17)12(8)18/h2-5H,1H3,(H3,19,21,22,24)
InChIKeyUBQLVMPNILRISI-UHFFFAOYSA-N
XLogP4.23
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.64
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-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-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 67400361) is N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UBQLVMPNILRISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N5O2/c1-6-9(5-25-23-6)15(24)22-11-4-20-13(14(19)21-11)8-2-7(16)3-10(17)12(8)18/h2-5H,1H3,(H3,19,21,22,24).
What are the key properties of N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 398.64 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,3,5-trichlorophenyl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 67400361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).