4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile

C9H5N3O — CID 82412176

IUPAC4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ncco1
InChIInChI=1S/C9H5N3O/c10-5-7-6-11-2-1-8(7)9-12-3-4-13-9/h1-4,6H
InChIKeyAKLHTSSOCWPIPH-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.61
Rot. Bonds1

About 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile

4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile (PubChem CID 82412176) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
PubChem CID82412176
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ncco1
InChIInChI=1S/C9H5N3O/c10-5-7-6-11-2-1-8(7)9-12-3-4-13-9/h1-4,6H
InChIKeyAKLHTSSOCWPIPH-UHFFFAOYSA-N
XLogP1.61
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile (CID 82412176) is 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile is N#Cc1cnccc1-c1ncco1.
What is the InChIKey of 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is AKLHTSSOCWPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-5-7-6-11-2-1-8(7)9-12-3-4-13-9/h1-4,6H.
What are the key properties of 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile?
4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 82412176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).