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

C17H13F3N4O3 — CID 25159060

IUPACN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1
InChIInChI=1S/C17H13F3N4O3/c1-9-12(8-26-24-9)16(25)23-14-7-6-11(15(21)22-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-8H,1H3,(H3,21,22,23,25)
InChIKeyLJBDZHNZGFGQNL-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.78
Rot. Bonds4

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

N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25159060) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID25159060
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC NameN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1
InChIInChI=1S/C17H13F3N4O3/c1-9-12(8-26-24-9)16(25)23-14-7-6-11(15(21)22-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-8H,1H3,(H3,21,22,23,25)
InChIKeyLJBDZHNZGFGQNL-UHFFFAOYSA-N
XLogP3.78
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 25159060) is N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1.
What is the InChIKey of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LJBDZHNZGFGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c1-9-12(8-26-24-9)16(25)23-14-7-6-11(15(21)22-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-8H,1H3,(H3,21,22,23,25).
What are the key properties of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 3.78, 4 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-(trifluoromethoxy)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25159060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).