2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone

C19H16F4N4O2 — CID 58449156

IUPAC2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILESCc1nc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)c(C(F)(F)F)o1
InChIInChI=1S/C19H16F4N4O2/c1-10-27-16(17(29-10)19(21,22)23)15(28)8-11-4-5-13(20)12(7-11)9-26-14-3-2-6-25-18(14)24/h2-7,26H,8-9H2,1H3,(H2,24,25)
InChIKeyXCSFFMCQOGFJFZ-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.16
Rot. Bonds6

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 58449156) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID58449156
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILESCc1nc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)c(C(F)(F)F)o1
InChIInChI=1S/C19H16F4N4O2/c1-10-27-16(17(29-10)19(21,22)23)15(28)8-11-4-5-13(20)12(7-11)9-26-14-3-2-6-25-18(14)24/h2-7,26H,8-9H2,1H3,(H2,24,25)
InChIKeyXCSFFMCQOGFJFZ-UHFFFAOYSA-N
XLogP4.16
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone (CID 58449156) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone is Cc1nc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)c(C(F)(F)F)o1.
What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is XCSFFMCQOGFJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c1-10-27-16(17(29-10)19(21,22)23)15(28)8-11-4-5-13(20)12(7-11)9-26-14-3-2-6-25-18(14)24/h2-7,26H,8-9H2,1H3,(H2,24,25).
What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone?
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 408.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 58449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).