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

C19H14N4O2 — CID 46931800

IUPAC3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C19H14N4O2/c20-11-13-4-3-5-14(10-13)19(24)23-9-7-15-17(12-23)25-18(22-15)16-6-1-2-8-21-16/h1-6,8,10H,7,9,12H2
InChIKeyKYCVZLHIXRCVIA-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.81
Rot. Bonds2

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

3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile (PubChem CID 46931800) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile
PubChem CID46931800
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1
InChIInChI=1S/C19H14N4O2/c20-11-13-4-3-5-14(10-13)19(24)23-9-7-15-17(12-23)25-18(22-15)16-6-1-2-8-21-16/h1-6,8,10H,7,9,12H2
InChIKeyKYCVZLHIXRCVIA-UHFFFAOYSA-N
XLogP2.81
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.81
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]pyridine-5-carbonyl)benzonitrile?
The IUPAC name of 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile (CID 46931800) is 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile.
What is the SMILES notation for 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile?
The canonical SMILES for 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCc3nc(-c4ccccn4)oc3C2)c1.
What is the InChIKey of 3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile?
The InChIKey is KYCVZLHIXRCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-11-13-4-3-5-14(10-13)19(24)23-9-7-15-17(12-23)25-18(22-15)16-6-1-2-8-21-16/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]pyridine-5-carbonyl)benzonitrile?
3-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-5-carbonyl)benzonitrile has a molecular weight of 330.35 g/mol, XLogP of 2.81, 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]pyridine-5-carbonyl)benzonitrile is sourced from PubChem (CID 46931800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).