2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole

C19H14FN3O2 — CID 70908815

IUPAC2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESFc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3o1)CO2
InChIInChI=1S/C19H14FN3O2/c20-15-2-4-17-12(6-15)5-13(10-24-17)19-23-16-3-1-11(7-18(16)25-19)14-8-21-22-9-14/h1-4,6-9,13H,5,10H2,(H,21,22)
InChIKeyYSANDVRSNHWUEM-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.08
Rot. Bonds2

About 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole

2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole (PubChem CID 70908815) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
PubChem CID70908815
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESFc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3o1)CO2
InChIInChI=1S/C19H14FN3O2/c20-15-2-4-17-12(6-15)5-13(10-24-17)19-23-16-3-1-11(7-18(16)25-19)14-8-21-22-9-14/h1-4,6-9,13H,5,10H2,(H,21,22)
InChIKeyYSANDVRSNHWUEM-UHFFFAOYSA-N
XLogP4.08
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole (CID 70908815) is 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole is Fc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3o1)CO2.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The InChIKey is YSANDVRSNHWUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-15-2-4-17-12(6-15)5-13(10-24-17)19-23-16-3-1-11(7-18(16)25-19)14-8-21-22-9-14/h1-4,6-9,13H,5,10H2,(H,21,22).
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole has a molecular weight of 335.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 70908815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).