2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine

C15H12N4O2 — CID 43093603

IUPAC2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(c1nc(-c3ccncc3)no1)O2
InChIInChI=1S/C15H12N4O2/c1-2-4-12-11(3-1)17-9-13(20-12)15-18-14(19-21-15)10-5-7-16-8-6-10/h1-8,13,17H,9H2
InChIKeyFISKTWZADMZYRH-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.68
Rot. Bonds2

About 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine

2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 43093603) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID43093603
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(c1nc(-c3ccncc3)no1)O2
InChIInChI=1S/C15H12N4O2/c1-2-4-12-11(3-1)17-9-13(20-12)15-18-14(19-21-15)10-5-7-16-8-6-10/h1-8,13,17H,9H2
InChIKeyFISKTWZADMZYRH-UHFFFAOYSA-N
XLogP2.68
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 43093603) is 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)NCC(c1nc(-c3ccncc3)no1)O2.
What is the InChIKey of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is FISKTWZADMZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-2-4-12-11(3-1)17-9-13(20-12)15-18-14(19-21-15)10-5-7-16-8-6-10/h1-8,13,17H,9H2.
What are the key properties of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 280.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 43093603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).