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

C19H15N3O2 — CID 44563152

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3o1)CO2
InChIInChI=1S/C19H15N3O2/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)
InChIKeySZVIMUNJLGYDLN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.94
Rot. Bonds2

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

2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole (PubChem CID 44563152) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
PubChem CID44563152
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3o1)CO2
InChIInChI=1S/C19H15N3O2/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)
InChIKeySZVIMUNJLGYDLN-UHFFFAOYSA-N
XLogP3.94
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole (CID 44563152) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole is c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3o1)CO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The InChIKey is SZVIMUNJLGYDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole has a molecular weight of 317.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 44563152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).