N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide

C16H12F3N5O2 — CID 109293991

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3C(F)(F)F)cn2)no1
InChIInChI=1S/C16H12F3N5O2/c1-9-6-13(24-26-9)23-15(25)12-7-21-14(8-20-12)22-11-5-3-2-4-10(11)16(17,18)19/h2-8H,1H3,(H,21,22)(H,23,24,25)
InChIKeyHJJPJHGWPBWWNP-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.79
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 109293991) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID109293991
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3C(F)(F)F)cn2)no1
InChIInChI=1S/C16H12F3N5O2/c1-9-6-13(24-26-9)23-15(25)12-7-21-14(8-20-12)22-11-5-3-2-4-10(11)16(17,18)19/h2-8H,1H3,(H,21,22)(H,23,24,25)
InChIKeyHJJPJHGWPBWWNP-UHFFFAOYSA-N
XLogP3.79
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
6-(2-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163139
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983363
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109294525
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 109293991) is N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccccc3C(F)(F)F)cn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is HJJPJHGWPBWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c1-9-6-13(24-26-9)23-15(25)12-7-21-14(8-20-12)22-11-5-3-2-4-10(11)16(17,18)19/h2-8H,1H3,(H,21,22)(H,23,24,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-[2-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109293991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).