3-pyridin-3-yl-1,2-oxazole-5-carbonitrile

C9H5N3O — CID 776479

IUPAC3-pyridin-3-yl-1,2-oxazole-5-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C9H5N3O/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7/h1-4,6H
InChIKeyXHCWYDZYJBRMMQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.61
Rot. Bonds1

About 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile

3-pyridin-3-yl-1,2-oxazole-5-carbonitrile (PubChem CID 776479) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-pyridin-3-yl-1,2-oxazole-5-carbonitrile
PubChem CID776479
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name3-pyridin-3-yl-1,2-oxazole-5-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C9H5N3O/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7/h1-4,6H
InChIKeyXHCWYDZYJBRMMQ-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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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
6-Amino-3-tert-butyl-4-pyridin-3-yl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile
CID 3236515
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
5-[5-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;hydrochloride
CID 76317404
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664513
5-[3-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664514
5-[3-(4-Carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665013
5-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665124
5-[3-(3-Carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665245

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile (CID 776479) is 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile is N#Cc1cc(-c2cccnc2)no1.
What is the InChIKey of 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile?
The InChIKey is XHCWYDZYJBRMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7/h1-4,6H.
What are the key properties of 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile?
3-pyridin-3-yl-1,2-oxazole-5-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 3-pyridin-3-yl-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 776479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).