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

C15H10N4O2 — CID 53140986

IUPAC2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4cccnc4)n3)ccc2o1
InChIInChI=1S/C15H10N4O2/c1-9-17-12-7-10(4-5-13(12)20-9)14-18-15(21-19-14)11-3-2-6-16-8-11/h2-8H,1H3
InChIKeyIOJGVKCWWPJJBI-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.25
Rot. Bonds2

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

2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole (PubChem CID 53140986) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
PubChem CID53140986
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4cccnc4)n3)ccc2o1
InChIInChI=1S/C15H10N4O2/c1-9-17-12-7-10(4-5-13(12)20-9)14-18-15(21-19-14)11-3-2-6-16-8-11/h2-8H,1H3
InChIKeyIOJGVKCWWPJJBI-UHFFFAOYSA-N
XLogP3.25
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole (CID 53140986) is 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4cccnc4)n3)ccc2o1.
What is the InChIKey of 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
The InChIKey is IOJGVKCWWPJJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-9-17-12-7-10(4-5-13(12)20-9)14-18-15(21-19-14)11-3-2-6-16-8-11/h2-8H,1H3.
What are the key properties of 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole?
2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole has a molecular weight of 278.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 53140986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).