4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile

C14H8N4O — CID 122575562

IUPAC4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1-c1ccon1
InChIInChI=1S/C14H8N4O/c15-8-11-9-16-14(10-4-2-1-3-5-10)17-13(11)12-6-7-19-18-12/h1-7,9H
InChIKeyJNIJLUKIBYKYRX-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds2

About 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile

4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile (PubChem CID 122575562) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile
PubChem CID122575562
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1-c1ccon1
InChIInChI=1S/C14H8N4O/c15-8-11-9-16-14(10-4-2-1-3-5-10)17-13(11)12-6-7-19-18-12/h1-7,9H
InChIKeyJNIJLUKIBYKYRX-UHFFFAOYSA-N
XLogP2.67
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
CID 24901796
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2-phenylquinazoline-8-carbonitrile
CID 174872063
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
6-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 91253210
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
2,4-diphenylpyrimidine;yttrium
CID 59738567
(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane
CID 176617809
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 58731980
5-chloro-4-methyl-6-phenylpyridine-3-carbonitrile
CID 69057731
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile (CID 122575562) is 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2)nc1-c1ccon1.
What is the InChIKey of 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is JNIJLUKIBYKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-8-11-9-16-14(10-4-2-1-3-5-10)17-13(11)12-6-7-19-18-12/h1-7,9H.
What are the key properties of 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile?
4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 122575562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).