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

C16H11Cl3N4O2 — CID 25155700

IUPACN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C16H11Cl3N4O2/c1-7-11(6-25-23-7)16(24)22-13-3-2-9(15(20)21-13)10-4-8(17)5-12(18)14(10)19/h2-6H,1H3,(H3,20,21,22,24)
InChIKeyUXJJTKDVZYQPDC-UHFFFAOYSA-N
MW397.65 g/mol
LogP4.84
Rot. Bonds3

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

N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25155700) has the molecular formula C16H11Cl3N4O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID25155700
Molecular FormulaC16H11Cl3N4O2
Molecular Weight397.65 g/mol
Exact Mass395.99
IUPAC NameN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C16H11Cl3N4O2/c1-7-11(6-25-23-7)16(24)22-13-3-2-9(15(20)21-13)10-4-8(17)5-12(18)14(10)19/h2-6H,1H3,(H3,20,21,22,24)
InChIKeyUXJJTKDVZYQPDC-UHFFFAOYSA-N
XLogP4.84
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 25155700) is N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UXJJTKDVZYQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4O2/c1-7-11(6-25-23-7)16(24)22-13-3-2-9(15(20)21-13)10-4-8(17)5-12(18)14(10)19/h2-6H,1H3,(H3,20,21,22,24).
What are the key properties of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 397.65 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25155700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).