N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

C19H15F4N5O2 — CID 155226176

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
SMILESCC1Cc2onc(-c3ncccn3)c2CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F4N5O2/c1-10-7-15-12(16(27-30-15)17-24-5-2-6-25-17)9-28(10)18(29)26-11-3-4-14(20)13(8-11)19(21,22)23/h2-6,8,10H,7,9H2,1H3,(H,26,29)
InChIKeyGWGHUKGNJGXFQG-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.27
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 155226176) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
PubChem CID155226176
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
SMILESCC1Cc2onc(-c3ncccn3)c2CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F4N5O2/c1-10-7-15-12(16(27-30-15)17-24-5-2-6-25-17)9-28(10)18(29)26-11-3-4-14(20)13(8-11)19(21,22)23/h2-6,8,10H,7,9H2,1H3,(H,26,29)
InChIKeyGWGHUKGNJGXFQG-UHFFFAOYSA-N
XLogP4.27
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide 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 N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide (CID 155226176) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide is CC1Cc2onc(-c3ncccn3)c2CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is GWGHUKGNJGXFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c1-10-7-15-12(16(27-30-15)17-24-5-2-6-25-17)9-28(10)18(29)26-11-3-4-14(20)13(8-11)19(21,22)23/h2-6,8,10H,7,9H2,1H3,(H,26,29).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 155226176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).