N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide

C17H17F3N4O2 — CID 126590979

IUPACN-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(C3N=C(N)C(C)CC3(F)F)c2)o1
InChIInChI=1S/C17H17F3N4O2/c1-8-6-17(19,20)14(24-15(8)21)11-5-10(3-4-12(11)18)23-16(25)13-7-22-9(2)26-13/h3-5,7-8,14H,6H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyZSAYIHXEPWBENA-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.45
Rot. Bonds3

About N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide

N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 126590979) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID126590979
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(C3N=C(N)C(C)CC3(F)F)c2)o1
InChIInChI=1S/C17H17F3N4O2/c1-8-6-17(19,20)14(24-15(8)21)11-5-10(3-4-12(11)18)23-16(25)13-7-22-9(2)26-13/h3-5,7-8,14H,6H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyZSAYIHXEPWBENA-UHFFFAOYSA-N
XLogP3.45
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 126591031
N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide
CID 126590980
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702324
N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118162622
2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
CID 110702258
N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine
CID 144715703
N-[3-(5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 138495197
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118875214
6,6-difluoro-5-[2-fluoro-5-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxidohydrazinyl]phenyl]-5,7-dihydro-2H-1,4-oxazepin-3-amine
CID 163508942
N-[3-(5-amino-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634016
N-[3-[(5S)-6-amino-5-cyano-3,5-dimethyl-3,4-dihydro-2H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 145279664

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide (CID 126590979) is N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(F)c(C3N=C(N)C(C)CC3(F)F)c2)o1.
What is the InChIKey of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZSAYIHXEPWBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-8-6-17(19,20)14(24-15(8)21)11-5-10(3-4-12(11)18)23-16(25)13-7-22-9(2)26-13/h3-5,7-8,14H,6H2,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126590979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).