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

C16H11FN6O — CID 69281016

IUPAC4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cocn1
InChIInChI=1S/C16H11FN6O/c17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14/h1-7,9-10H,8H2
InChIKeyWKCDVWMMTYOOJN-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.58
Rot. Bonds4

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

4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 69281016) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID69281016
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cocn1
InChIInChI=1S/C16H11FN6O/c17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14/h1-7,9-10H,8H2
InChIKeyWKCDVWMMTYOOJN-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 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (CID 69281016) is 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cocn1.
What is the InChIKey of 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is WKCDVWMMTYOOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14/h1-7,9-10H,8H2.
What are the key properties of 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
4-[2-[(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 4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 69281016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).