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

C17H12F4N4O2 — CID 71111304

IUPACN-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(-c2cc(F)ccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C17H12F4N4O2/c1-8-12(7-23-27-8)16(26)25-14-5-3-10(15(22)24-14)11-6-9(18)2-4-13(11)17(19,20)21/h2-7H,1H3,(H3,22,24,25,26)
InChIKeyQKWCTEOPNRDNMI-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.04
Rot. Bonds3

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

N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71111304) has the molecular formula C17H12F4N4O2 and a molecular weight of 380.30 g/mol. Its IUPAC name is N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71111304
Molecular FormulaC17H12F4N4O2
Molecular Weight380.30 g/mol
Exact Mass380.09
IUPAC NameN-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(-c2cc(F)ccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C17H12F4N4O2/c1-8-12(7-23-27-8)16(26)25-14-5-3-10(15(22)24-14)11-6-9(18)2-4-13(11)17(19,20)21/h2-7H,1H3,(H3,22,24,25,26)
InChIKeyQKWCTEOPNRDNMI-UHFFFAOYSA-N
XLogP4.04
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71111304) is N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(-c2cc(F)ccc2C(F)(F)F)c(N)n1.
What is the InChIKey of N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QKWCTEOPNRDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O2/c1-8-12(7-23-27-8)16(26)25-14-5-3-10(15(22)24-14)11-6-9(18)2-4-13(11)17(19,20)21/h2-7H,1H3,(H3,22,24,25,26).
What are the key properties of N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 4.04, 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-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71111304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).