5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole

C21H14N4O — CID 29209243

IUPAC5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(-c4cccnc4)nc3c2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C21H14N4O/c1-3-14(11-16(4-1)18-8-10-23-25-18)15-6-7-20-19(12-15)24-21(26-20)17-5-2-9-22-13-17/h1-13H,(H,23,25)
InChIKeyYWMVOCZKEQZRTB-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.95
Rot. Bonds3

About 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole

5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 29209243) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole
PubChem CID29209243
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(-c4cccnc4)nc3c2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C21H14N4O/c1-3-14(11-16(4-1)18-8-10-23-25-18)15-6-7-20-19(12-15)24-21(26-20)17-5-2-9-22-13-17/h1-13H,(H,23,25)
InChIKeyYWMVOCZKEQZRTB-UHFFFAOYSA-N
XLogP4.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole (CID 29209243) is 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole is c1cc(-c2ccc3oc(-c4cccnc4)nc3c2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is YWMVOCZKEQZRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-3-14(11-16(4-1)18-8-10-23-25-18)15-6-7-20-19(12-15)24-21(26-20)17-5-2-9-22-13-17/h1-13H,(H,23,25).
What are the key properties of 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole?
5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 338.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 29209243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).