2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile

C8H4N4O — CID 71743317

IUPAC2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ncco2)nc1
InChIInChI=1S/C8H4N4O/c9-3-6-4-11-7(12-5-6)8-10-1-2-13-8/h1-2,4-5H
InChIKeyZUPIVXYGHOXPTM-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.00
Rot. Bonds1

About 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile

2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile (PubChem CID 71743317) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile
PubChem CID71743317
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ncco2)nc1
InChIInChI=1S/C8H4N4O/c9-3-6-4-11-7(12-5-6)8-10-1-2-13-8/h1-2,4-5H
InChIKeyZUPIVXYGHOXPTM-UHFFFAOYSA-N
XLogP1.00
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile (CID 71743317) is 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ncco2)nc1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is ZUPIVXYGHOXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-3-6-4-11-7(12-5-6)8-10-1-2-13-8/h1-2,4-5H.
What are the key properties of 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile?
2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 172.15 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 71743317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).