3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile

C18H14N4O — CID 46912224

IUPAC3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile
SMILESN#Cc1cccc(N2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-15-17(12-22)23-18(21-15)16-6-1-2-8-20-16/h1-6,8,10H,7,9,12H2
InChIKeyJSWQCBISSDFLDD-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.17
Rot. Bonds2

About 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile

3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile (PubChem CID 46912224) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile
PubChem CID46912224
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile
SMILESN#Cc1cccc(N2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-15-17(12-22)23-18(21-15)16-6-1-2-8-20-16/h1-6,8,10H,7,9,12H2
InChIKeyJSWQCBISSDFLDD-UHFFFAOYSA-N
XLogP3.17
TPSA65.95 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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile (CID 46912224) is 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile is N#Cc1cccc(N2CCc3nc(-c4ccccn4)oc3C2)c1.
What is the InChIKey of 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
The InChIKey is JSWQCBISSDFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-15-17(12-22)23-18(21-15)16-6-1-2-8-20-16/h1-6,8,10H,7,9,12H2.
What are the key properties of 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile?
3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 46912224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).