2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole

C14H9N5O2 — CID 53140989

IUPAC2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4cnccn4)n3)ccc2o1
InChIInChI=1S/C14H9N5O2/c1-8-17-10-6-9(2-3-12(10)20-8)13-18-14(21-19-13)11-7-15-4-5-16-11/h2-7H,1H3
InChIKeyVDMDIADJKTUVLE-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole

2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole (PubChem CID 53140989) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
PubChem CID53140989
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4cnccn4)n3)ccc2o1
InChIInChI=1S/C14H9N5O2/c1-8-17-10-6-9(2-3-12(10)20-8)13-18-14(21-19-13)11-7-15-4-5-16-11/h2-7H,1H3
InChIKeyVDMDIADJKTUVLE-UHFFFAOYSA-N
XLogP2.64
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole (CID 53140989) is 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4cnccn4)n3)ccc2o1.
What is the InChIKey of 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
The InChIKey is VDMDIADJKTUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c1-8-17-10-6-9(2-3-12(10)20-8)13-18-14(21-19-13)11-7-15-4-5-16-11/h2-7H,1H3.
What are the key properties of 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole has a molecular weight of 279.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 53140989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).