(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone

C17H14F3N5O2 — CID 170504151

IUPAC(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
SMILESO=C(c1n[nH]c(C(F)(F)F)n1)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)16-22-14(23-24-16)15(26)25-7-6-12-11(9-25)21-13(27-12)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,22,23,24)
InChIKeyRHADIPKEMGWYOZ-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.60
Rot. Bonds3

About (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone

(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone (PubChem CID 170504151) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
PubChem CID170504151
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
SMILESO=C(c1n[nH]c(C(F)(F)F)n1)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)16-22-14(23-24-16)15(26)25-7-6-12-11(9-25)21-13(27-12)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,22,23,24)
InChIKeyRHADIPKEMGWYOZ-UHFFFAOYSA-N
XLogP2.60
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone 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-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone (CID 170504151) is (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone is O=C(c1n[nH]c(C(F)(F)F)n1)N1CCc2oc(Cc3ccccc3)nc2C1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
The InChIKey is RHADIPKEMGWYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)16-22-14(23-24-16)15(26)25-7-6-12-11(9-25)21-13(27-12)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,22,23,24).
What are the key properties of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone has a molecular weight of 377.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 170504151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).