2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile

C18H14N4O — CID 66706212

IUPAC2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C1CCc2nc(-c3ccccn3)oc2C1
InChIInChI=1S/C18H14N4O/c19-11-13-4-3-9-21-17(13)12-6-7-14-16(10-12)23-18(22-14)15-5-1-2-8-20-15/h1-5,8-9,12H,6-7,10H2
InChIKeyQYWIUABWUJOVHU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.28
Rot. Bonds2

About 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile

2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile (PubChem CID 66706212) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile
PubChem CID66706212
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C1CCc2nc(-c3ccccn3)oc2C1
InChIInChI=1S/C18H14N4O/c19-11-13-4-3-9-21-17(13)12-6-7-14-16(10-12)23-18(22-14)15-5-1-2-8-20-15/h1-5,8-9,12H,6-7,10H2
InChIKeyQYWIUABWUJOVHU-UHFFFAOYSA-N
XLogP3.28
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile (CID 66706212) is 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile is N#Cc1cccnc1C1CCc2nc(-c3ccccn3)oc2C1.
What is the InChIKey of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile?
The InChIKey is QYWIUABWUJOVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-11-13-4-3-9-21-17(13)12-6-7-14-16(10-12)23-18(22-14)15-5-1-2-8-20-15/h1-5,8-9,12H,6-7,10H2.
What are the key properties of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile?
2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 66706212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).