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

C17H12FN5O — CID 69281005

IUPAC2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncco1
InChIInChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)11-23-16(17-20-9-10-24-17)21-15(22-23)14-7-3-4-8-19-14/h1-10H,11H2
InChIKeyOKUABZHGCMRSAG-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.18
Rot. Bonds4

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

2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 69281005) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID69281005
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncco1
InChIInChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)11-23-16(17-20-9-10-24-17)21-15(22-23)14-7-3-4-8-19-14/h1-10H,11H2
InChIKeyOKUABZHGCMRSAG-UHFFFAOYSA-N
XLogP3.18
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 57397055
US20230271964, Example 1-9
CID 156863798
US11786528, Example 26
CID 146268710
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]oxazole
CID 19022708
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)imidazo[2,1-b]oxazole
CID 57929944
5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
CID 59457796
5-([1,2,4]Triazolo[4,3-a]pyridin-6-yl)-6-(4-fluorophenyl)imidazo[2,1-b]oxazole
CID 59457815
6-(2,4-Difluorophenyl)-5-(6-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]oxazole
CID 59457866
5-[3-(Cyclobutadienyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 68555544
4-(1-(2-fluorobenzyl)-5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)oxazole
CID 69092174
4-(2-(1-(2-fluorobenzyl)-5-(oxazol-4-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-yl)morpholine
CID 69093714
2-(1-(2-fluorobenzyl)-5-(oxazol-4-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-amine
CID 69093787

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (CID 69281005) is 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncco1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is OKUABZHGCMRSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)11-23-16(17-20-9-10-24-17)21-15(22-23)14-7-3-4-8-19-14/h1-10H,11H2.
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole has a molecular weight of 321.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 69281005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).