2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C17H12F3N3O2 — CID 4143248

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)14-13(15(24)22-10-11-5-4-8-21-9-11)23-16(25-14)12-6-2-1-3-7-12/h1-9H,10H2,(H,22,24)
InChIKeyCQUHWRJZFCFQMQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.69
Rot. Bonds4

About 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 4143248) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID4143248
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)14-13(15(24)22-10-11-5-4-8-21-9-11)23-16(25-14)12-6-2-1-3-7-12/h1-9H,10H2,(H,22,24)
InChIKeyCQUHWRJZFCFQMQ-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 4143248) is 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1cccnc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CQUHWRJZFCFQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)14-13(15(24)22-10-11-5-4-8-21-9-11)23-16(25-14)12-6-2-1-3-7-12/h1-9H,10H2,(H,22,24).
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4143248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).