2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol

C21H14N4O2 — CID 139232752

IUPAC2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol
SMILESOc1ccccc1-c1nn(-c2ccccn2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H14N4O2/c26-17-9-3-1-7-14(17)20-15(13-25(24-20)19-11-5-6-12-22-19)21-23-16-8-2-4-10-18(16)27-21/h1-13,26H
InChIKeyHCDCFKZUSAUUOG-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.45
Rot. Bonds3

About 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol

2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol (PubChem CID 139232752) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol
PubChem CID139232752
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol
SMILESOc1ccccc1-c1nn(-c2ccccn2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H14N4O2/c26-17-9-3-1-7-14(17)20-15(13-25(24-20)19-11-5-6-12-22-19)21-23-16-8-2-4-10-18(16)27-21/h1-13,26H
InChIKeyHCDCFKZUSAUUOG-UHFFFAOYSA-N
XLogP4.45
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol (CID 139232752) is 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol is Oc1ccccc1-c1nn(-c2ccccn2)cc1-c1nc2ccccc2o1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol?
The InChIKey is HCDCFKZUSAUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-17-9-3-1-7-14(17)20-15(13-25(24-20)19-11-5-6-12-22-19)21-23-16-8-2-4-10-18(16)27-21/h1-13,26H.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol?
2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol has a molecular weight of 354.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)-1-pyridin-2-ylpyrazol-3-yl]phenol is sourced from PubChem (CID 139232752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).