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

C16H11FN6O — CID 69281004

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncco2)nc1-c1ncccn1
InChIInChI=1S/C16H11FN6O/c17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16/h1-9H,10H2
InChIKeyUXGGXRCMINFHQT-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.58
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 69281004) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID69281004
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncco2)nc1-c1ncccn1
InChIInChI=1S/C16H11FN6O/c17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16/h1-9H,10H2
InChIKeyUXGGXRCMINFHQT-UHFFFAOYSA-N
XLogP2.58
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (CID 69281004) is 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ncccn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is UXGGXRCMINFHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16/h1-9H,10H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole has a molecular weight of 322.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 69281004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).