6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

C19H17FN2O — CID 58076836

IUPAC6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1cc(F)cc(C2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C19H17FN2O/c1-12-8-14(10-15(20)9-12)13-5-6-16-18(11-13)23-19(22-16)17-4-2-3-7-21-17/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyQIRGYJBOOQSVGY-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.46
Rot. Bonds2

About 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 58076836) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID58076836
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1cc(F)cc(C2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C19H17FN2O/c1-12-8-14(10-15(20)9-12)13-5-6-16-18(11-13)23-19(22-16)17-4-2-3-7-21-17/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyQIRGYJBOOQSVGY-UHFFFAOYSA-N
XLogP4.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 58076836) is 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is Cc1cc(F)cc(C2CCc3nc(-c4ccccn4)oc3C2)c1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is QIRGYJBOOQSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-12-8-14(10-15(20)9-12)13-5-6-16-18(11-13)23-19(22-16)17-4-2-3-7-21-17/h2-4,7-10,13H,5-6,11H2,1H3.
What are the key properties of 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 308.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 58076836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).