2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole

C16H12N4O — CID 11277380

IUPAC2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3cn[nH]c3-c3ccccn3)cc2o1
InChIInChI=1S/C16H12N4O/c1-10-19-13-6-5-11(8-15(13)21-10)12-9-18-20-16(12)14-4-2-3-7-17-14/h2-9H,1H3,(H,18,20)
InChIKeyIEXRQIIVRKDGFW-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.59
Rot. Bonds2

About 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole

2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole (PubChem CID 11277380) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole
PubChem CID11277380
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3cn[nH]c3-c3ccccn3)cc2o1
InChIInChI=1S/C16H12N4O/c1-10-19-13-6-5-11(8-15(13)21-10)12-9-18-20-16(12)14-4-2-3-7-17-14/h2-9H,1H3,(H,18,20)
InChIKeyIEXRQIIVRKDGFW-UHFFFAOYSA-N
XLogP3.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole (CID 11277380) is 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole is Cc1nc2ccc(-c3cn[nH]c3-c3ccccn3)cc2o1.
What is the InChIKey of 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole?
The InChIKey is IEXRQIIVRKDGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-19-13-6-5-11(8-15(13)21-10)12-9-18-20-16(12)14-4-2-3-7-17-14/h2-9H,1H3,(H,18,20).
What are the key properties of 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole?
2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole has a molecular weight of 276.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 11277380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).