4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole

C17H14FN5O — CID 69280951

IUPAC4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2cocn2)nc1C1CC=CC=N1
InChIInChI=1S/C17H14FN5O/c18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15/h1-6,8,10-11,14H,7,9H2
InChIKeyXZLITEZDLGNMPR-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.19
Rot. Bonds4

About 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole

4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 69280951) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID69280951
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2cocn2)nc1C1CC=CC=N1
InChIInChI=1S/C17H14FN5O/c18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15/h1-6,8,10-11,14H,7,9H2
InChIKeyXZLITEZDLGNMPR-UHFFFAOYSA-N
XLogP3.19
TPSA69.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole (CID 69280951) is 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2cocn2)nc1C1CC=CC=N1.
What is the InChIKey of 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is XZLITEZDLGNMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15/h1-6,8,10-11,14H,7,9H2.
What are the key properties of 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole?
4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole has a molecular weight of 323.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydropyridin-2-yl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 69280951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).