5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole

C21H20N4O2 — CID 153469818

IUPAC5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCCCCc1cnc(COc2ccc3oc(-c4cccnc4)nc3c2)cn1
InChIInChI=1S/C21H20N4O2/c1-2-3-6-16-12-24-17(13-23-16)14-26-18-7-8-20-19(10-18)25-21(27-20)15-5-4-9-22-11-15/h4-5,7-13H,2-3,6,14H2,1H3
InChIKeyYRXUGYOLKKLFTO-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.60
Rot. Bonds7

About 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole

5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 153469818) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
PubChem CID153469818
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCCCCc1cnc(COc2ccc3oc(-c4cccnc4)nc3c2)cn1
InChIInChI=1S/C21H20N4O2/c1-2-3-6-16-12-24-17(13-23-16)14-26-18-7-8-20-19(10-18)25-21(27-20)15-5-4-9-22-11-15/h4-5,7-13H,2-3,6,14H2,1H3
InChIKeyYRXUGYOLKKLFTO-UHFFFAOYSA-N
XLogP4.60
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole (CID 153469818) is 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole is CCCCc1cnc(COc2ccc3oc(-c4cccnc4)nc3c2)cn1.
What is the InChIKey of 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is YRXUGYOLKKLFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-3-6-16-12-24-17(13-23-16)14-26-18-7-8-20-19(10-18)25-21(27-20)15-5-4-9-22-11-15/h4-5,7-13H,2-3,6,14H2,1H3.
What are the key properties of 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 360.42 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 153469818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).