N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C19H13F5N4O2 — CID 52936729

IUPACN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H13F5N4O2/c20-18(21)9-28(10-18)13-7-6-12(8-25-13)26-16(29)14-15(19(22,23)24)30-17(27-14)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,26,29)
InChIKeyLBFLJRBLAAEWJK-UHFFFAOYSA-N
MW424.33 g/mol
LogP4.46
Rot. Bonds4

About N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936729) has the molecular formula C19H13F5N4O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936729
Molecular FormulaC19H13F5N4O2
Molecular Weight424.33 g/mol
Exact Mass424.10
IUPAC NameN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H13F5N4O2/c20-18(21)9-28(10-18)13-7-6-12(8-25-13)26-16(29)14-15(19(22,23)24)30-17(27-14)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,26,29)
InChIKeyLBFLJRBLAAEWJK-UHFFFAOYSA-N
XLogP4.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dgat1-IN-3
CID 16757107
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (2-morpholin-4-yl-pyrimidin-5-yl)-amide
CID 16757014
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
5-Chloro-2-phenyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757106
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid{2-[(2-Methoxyethyl)methylamino]pyrimidin-5-yl}amide
CID 16757108
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3-Ethoxyazetidin-1-yl)pyridin-3-yl]amide
CID 52936727
(1-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}azetidin-3-yloxy)acetic Acid
CID 52936730
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(4-Cyclopropanecarbonylpiperazin-1-yl)pyridin-3-yl]-amide
CID 52936731

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936729) is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LBFLJRBLAAEWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O2/c20-18(21)9-28(10-18)13-7-6-12(8-25-13)26-16(29)14-15(19(22,23)24)30-17(27-14)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,26,29).
What are the key properties of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 424.33 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).